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- PDB-6y11: Respiratory complex I from Thermus thermophilus -

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Basic information

Entry
Database: PDB / ID: 6y11
TitleRespiratory complex I from Thermus thermophilus
Components
  • (NADH-quinone oxidoreductase subunit ...) x 15
  • DUF3197 domain-containing protein
KeywordsMEMBRANE PROTEIN / Respiratory chain / complex I / NADH:ubiquinone oxidoreductase / electron transfer / proton translocation
Function / homology
Function and homology information


NADH dehydrogenase complex / : / NADH:ubiquinone reductase (non-electrogenic) activity / Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions / oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor / respiratory chain complex I / molybdopterin cofactor binding / iron-sulfur cluster assembly / NADH dehydrogenase activity / ubiquinone binding ...NADH dehydrogenase complex / : / NADH:ubiquinone reductase (non-electrogenic) activity / Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions / oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor / respiratory chain complex I / molybdopterin cofactor binding / iron-sulfur cluster assembly / NADH dehydrogenase activity / ubiquinone binding / mitochondrial respiratory chain complex I assembly / NADH dehydrogenase (ubiquinone) activity / quinone binding / electron transport coupled proton transport / ATP synthesis coupled electron transport / aerobic respiration / ferric iron binding / 2 iron, 2 sulfur cluster binding / NAD binding / FMN binding / 4 iron, 4 sulfur cluster binding / iron ion binding / metal ion binding / plasma membrane
Similarity search - Function
Domain of unknown function DUF3197 / TTHA1528-like superfamily / Protein of unknown function (DUF3197) / NADH-quinone oxidoreductase, subunit15 / NADH-quinone oxidoreductase, subunit 15 superfamily / NADH-quinone oxidoreductase chain 15 / Frataxin/CyaY superfamily / NAD(P)H-quinone oxidoreductase subunit 3, bacterial/plastid / NAD(P)H-quinone oxidoreductase, subunit N/subunit 2 / Molybdopterin oxidoreductase Fe4S4 domain ...Domain of unknown function DUF3197 / TTHA1528-like superfamily / Protein of unknown function (DUF3197) / NADH-quinone oxidoreductase, subunit15 / NADH-quinone oxidoreductase, subunit 15 superfamily / NADH-quinone oxidoreductase chain 15 / Frataxin/CyaY superfamily / NAD(P)H-quinone oxidoreductase subunit 3, bacterial/plastid / NAD(P)H-quinone oxidoreductase, subunit N/subunit 2 / Molybdopterin oxidoreductase Fe4S4 domain / Molybdopterin oxidoreductase Fe4S4 domain / 4Fe-4S binding domain / Molybdopterin dinucleotide-binding domain / Molydopterin dinucleotide binding domain / Cro/C1-type helix-turn-helix domain / 2Fe-2S iron-sulfur cluster binding domain / Soluble ligand binding domain / SLBB domain / Respiratory-chain NADH dehydrogenase 20 Kd subunit signature. / NADH-ubiquinone oxidoreductase, 20 Kd subunit / NADH-quinone oxidoreductase, chain I / NAD(P)H-quinone oxidoreductase subunit D/H / NADH:ubiquinone oxidoreductase, 49kDa subunit, conserved site / Respiratory chain NADH dehydrogenase 49 Kd subunit signature. / NADH-quinone oxidoreductase, subunit D / Respiratory-chain NADH dehydrogenase, 49 Kd subunit / NADH:ubiquinone oxidoreductase, subunit G / Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 3. / Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 2. / NADH-ubiquinone/plastoquinone oxidoreductase chain 6, subunit NuoJ / NADH ubiquinone oxidoreductase, F subunit / NADH dehydrogenase, subunit C / NADH-plastoquinone oxidoreductase, chain 5 subgroup / NADH-quinone oxidoreductase, chain M/4 / NADH:ubiquinone oxidoreductase, 30kDa subunit, conserved site / Respiratory chain NADH dehydrogenase 30 Kd subunit signature. / Aspartate decarboxylase-like domain superfamily / NADH-ubiquinone oxidoreductase chain 4L/K / NADH:ubiquinone/plastoquinone oxidoreductase, chain 6 / NADH-ubiquinone/plastoquinone oxidoreductase chain 6 / Respiratory-chain NADH dehydrogenase 75 Kd subunit signature 1. / 2Fe-2S iron-sulfur cluster binding domain / NADH-Ubiquinone oxidoreductase (complex I), chain 5 N-terminal / NADH-quinone oxidoreductase, chain 5-like / NADH-Ubiquinone oxidoreductase (complex I), chain 5 N-terminus / NADH:ubiquinone oxidoreductase, 75kDa subunit, conserved site / NADH:ubiquinone oxidoreductase, 30kDa subunit / NADH:ubiquinone oxidoreductase, 30kDa subunit superfamily / Respiratory-chain NADH dehydrogenase, 30 Kd subunit / NADH-ubiquinone oxidoreductase chain 4L/Mnh complex subunit C1-like / NADH-ubiquinone/plastoquinone oxidoreductase chain 4L / NADH-ubiquinone oxidoreductase-G iron-sulfur binding region / NADH-ubiquinone oxidoreductase-G iron-sulfur binding region / NADH:ubiquinone/plastoquinone oxidoreductase, chain 3 / NADH:ubiquinone oxidoreductase, subunit 3 superfamily / NADH-ubiquinone/plastoquinone oxidoreductase, chain 3 / NADH:ubiquinone oxidoreductase, subunit 1, conserved site / Respiratory-chain NADH dehydrogenase subunit 1 signature 1. / Respiratory-chain NADH dehydrogenase subunit 1 signature 2. / Respiratory-chain NADH dehydrogenase 51 Kd subunit signature 1. / NADH:ubiquinone oxidoreductase, subunit 1/F420H2 oxidoreductase subunit H / NADH dehydrogenase / NADH:ubiquinone oxidoreductase / Respiratory-chain NADH dehydrogenase 24 Kd subunit signature. / NADH:quinone oxidoreductase/Mrp antiporter, membrane subunit / NuoE domain / Proton-conducting membrane transporter / NADH:ubiquinone oxidoreductase, subunit G, iron-sulphur binding / His(Cys)3-ligated-type [4Fe-4S] domain profile. / NADH-quinone oxidoreductase subunit E-like / Thioredoxin-like [2Fe-2S] ferredoxin / NADH-quinone oxidoreductase subunit E, N-terminal / NADH:ubiquinone oxidoreductase, 51kDa subunit, conserved site / Respiratory-chain NADH dehydrogenase 51 Kd subunit signature 2. / NADH-ubiquinone oxidoreductase 51kDa subunit, iron-sulphur binding domain / NADH-ubiquinone oxidoreductase 51kDa subunit, iron-sulphur binding domain superfamily / NADH-ubiquinone oxidoreductase-F iron-sulfur binding region / NADH-ubiquinone oxidoreductase-F iron-sulfur binding region / NADH-ubiquinone oxidoreductase 51kDa subunit, FMN-binding domain / NADH-ubiquinone oxidoreductase 51kDa subunit, FMN-binding domain superfamily / Respiratory-chain NADH dehydrogenase 51 Kd subunit / Molybdopterin oxidoreductase, 4Fe-4S domain / Prokaryotic molybdopterin oxidoreductases 4Fe-4S domain profile. / NADH:ubiquinone oxidoreductase-like, 20kDa subunit / NADH ubiquinone oxidoreductase, 20 Kd subunit / Molybdopterin oxidoreductase / Molybdopterin oxidoreductase / [NiFe]-hydrogenase, large subunit / 4Fe-4S dicluster domain / 2Fe-2S ferredoxin-type iron-sulfur binding domain profile. / 2Fe-2S ferredoxin-type iron-sulfur binding domain / 2Fe-2S ferredoxin-like superfamily / 4Fe-4S ferredoxin, iron-sulphur binding, conserved site / 4Fe-4S ferredoxin-type iron-sulfur binding region signature. / 4Fe-4S ferredoxin-type iron-sulfur binding domain profile. / 4Fe-4S ferredoxin-type, iron-sulphur binding domain / Thioredoxin-like superfamily
Similarity search - Domain/homology
FE2/S2 (INORGANIC) CLUSTER / FLAVIN MONONUCLEOTIDE / IRON/SULFUR CLUSTER / NADH-quinone oxidoreductase subunit 7 / NADH-quinone oxidoreductase subunit 6 / NADH-quinone oxidoreductase subunit 5 / NADH-quinone oxidoreductase subunit 4 / NADH-quinone oxidoreductase subunit 2 / NADH-quinone oxidoreductase subunit 1 / NADH-quinone oxidoreductase subunit 3 ...FE2/S2 (INORGANIC) CLUSTER / FLAVIN MONONUCLEOTIDE / IRON/SULFUR CLUSTER / NADH-quinone oxidoreductase subunit 7 / NADH-quinone oxidoreductase subunit 6 / NADH-quinone oxidoreductase subunit 5 / NADH-quinone oxidoreductase subunit 4 / NADH-quinone oxidoreductase subunit 2 / NADH-quinone oxidoreductase subunit 1 / NADH-quinone oxidoreductase subunit 3 / NADH-quinone oxidoreductase subunit 9 / NADH-quinone oxidoreductase subunit 10 / NADH-quinone oxidoreductase subunit 11 / NADH-quinone oxidoreductase subunit 12 / NADH-quinone oxidoreductase subunit 13 / NADH-quinone oxidoreductase subunit 14 / Uncharacterized protein / NADH-quinone oxidoreductase subunit 15 / NADH-quinone oxidoreductase subunit 8
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.109 Å
AuthorsGutierrez-Fernandez, J. / Minhas, G.S. / Sazanov, L.A.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MC_U105674180 United Kingdom
CitationJournal: Nat Commun / Year: 2020
Title: Key role of quinone in the mechanism of respiratory complex I.
Authors: Javier Gutiérrez-Fernández / Karol Kaszuba / Gurdeep S Minhas / Rozbeh Baradaran / Margherita Tambalo / David T Gallagher / Leonid A Sazanov /
Abstract: Complex I is the first and the largest enzyme of respiratory chains in bacteria and mitochondria. The mechanism which couples spatially separated transfer of electrons to proton translocation in ...Complex I is the first and the largest enzyme of respiratory chains in bacteria and mitochondria. The mechanism which couples spatially separated transfer of electrons to proton translocation in complex I is not known. Here we report five crystal structures of T. thermophilus enzyme in complex with NADH or quinone-like compounds. We also determined cryo-EM structures of major and minor native states of the complex, differing in the position of the peripheral arm. Crystal structures show that binding of quinone-like compounds (but not of NADH) leads to a related global conformational change, accompanied by local re-arrangements propagating from the quinone site to the nearest proton channel. Normal mode and molecular dynamics analyses indicate that these are likely to represent the first steps in the proton translocation mechanism. Our results suggest that quinone binding and chemistry play a key role in the coupling mechanism of complex I.
History
DepositionFeb 10, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 2, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 24, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
1: NADH-quinone oxidoreductase subunit 1
2: NADH-quinone oxidoreductase subunit 2
3: NADH-quinone oxidoreductase subunit 3
4: NADH-quinone oxidoreductase subunit 4
5: NADH-quinone oxidoreductase subunit 5
6: NADH-quinone oxidoreductase subunit 6
9: NADH-quinone oxidoreductase subunit 9
7: NADH-quinone oxidoreductase subunit 15
W: DUF3197 domain-containing protein
A: NADH-quinone oxidoreductase subunit 7
J: NADH-quinone oxidoreductase subunit 10
K: NADH-quinone oxidoreductase subunit 11
L: NADH-quinone oxidoreductase subunit 12
M: NADH-quinone oxidoreductase subunit 13
N: NADH-quinone oxidoreductase subunit 14
H: NADH-quinone oxidoreductase subunit 8
B: NADH-quinone oxidoreductase subunit 1
C: NADH-quinone oxidoreductase subunit 2
D: NADH-quinone oxidoreductase subunit 3
E: NADH-quinone oxidoreductase subunit 4
F: NADH-quinone oxidoreductase subunit 5
G: NADH-quinone oxidoreductase subunit 6
O: NADH-quinone oxidoreductase subunit 9
I: NADH-quinone oxidoreductase subunit 15
X: DUF3197 domain-containing protein
P: NADH-quinone oxidoreductase subunit 7
R: NADH-quinone oxidoreductase subunit 10
S: NADH-quinone oxidoreductase subunit 11
T: NADH-quinone oxidoreductase subunit 12
U: NADH-quinone oxidoreductase subunit 13
V: NADH-quinone oxidoreductase subunit 14
Q: NADH-quinone oxidoreductase subunit 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,080,57752
Polymers1,074,03832
Non-polymers6,53920
Water00
1
1: NADH-quinone oxidoreductase subunit 1
2: NADH-quinone oxidoreductase subunit 2
3: NADH-quinone oxidoreductase subunit 3
4: NADH-quinone oxidoreductase subunit 4
5: NADH-quinone oxidoreductase subunit 5
6: NADH-quinone oxidoreductase subunit 6
9: NADH-quinone oxidoreductase subunit 9
7: NADH-quinone oxidoreductase subunit 15
W: DUF3197 domain-containing protein
A: NADH-quinone oxidoreductase subunit 7
J: NADH-quinone oxidoreductase subunit 10
K: NADH-quinone oxidoreductase subunit 11
L: NADH-quinone oxidoreductase subunit 12
M: NADH-quinone oxidoreductase subunit 13
N: NADH-quinone oxidoreductase subunit 14
H: NADH-quinone oxidoreductase subunit 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)540,28926
Polymers537,01916
Non-polymers3,26910
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: NADH-quinone oxidoreductase subunit 1
C: NADH-quinone oxidoreductase subunit 2
D: NADH-quinone oxidoreductase subunit 3
E: NADH-quinone oxidoreductase subunit 4
F: NADH-quinone oxidoreductase subunit 5
G: NADH-quinone oxidoreductase subunit 6
O: NADH-quinone oxidoreductase subunit 9
I: NADH-quinone oxidoreductase subunit 15
X: DUF3197 domain-containing protein
P: NADH-quinone oxidoreductase subunit 7
R: NADH-quinone oxidoreductase subunit 10
S: NADH-quinone oxidoreductase subunit 11
T: NADH-quinone oxidoreductase subunit 12
U: NADH-quinone oxidoreductase subunit 13
V: NADH-quinone oxidoreductase subunit 14
Q: NADH-quinone oxidoreductase subunit 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)540,28926
Polymers537,01916
Non-polymers3,26910
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)96.280, 340.890, 263.300
Angle α, β, γ (deg.)90.000, 100.570, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain N
21chain V
12chain 1
22chain B
13chain M
23chain U
14chain L
24chain T
15chain 7
25chain I
16chain 6
26chain G
17chain 9
27chain O
18chain W
28chain X
19chain 5
29chain F
110chain 4
210chain E
111chain A
211chain P
112chain K
212chain S
113chain J
213chain R
114chain H
214chain Q
115chain 3
215chain D
116chain 2
216chain C

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11METMETGLYGLYchain NNO1 - 4271 - 427
21METMETGLYGLYchain VVEA1 - 4271 - 427
12THRTHRARGARGchain 11A2 - 4382 - 438
22THRTHRARGARGchain BBQ2 - 4382 - 438
13METMETGLYGLYchain MMN1 - 4671 - 467
23METMETGLYGLYchain UUDA1 - 4671 - 467
14METMETARGARGchain LLM1 - 6051 - 605
24METMETARGARGchain TTCA1 - 6051 - 605
15ALAALAALAALAchain 77H3 - 1293 - 129
25ALAALAALAALAchain IIX3 - 1293 - 129
16ARGARGGLYGLYchain 66F16 - 18116 - 181
26ARGARGGLYGLYchain GGV16 - 18116 - 181
17THRTHRLYSLYSchain 99G2 - 1812 - 181
27THRTHRLYSLYSchain OOW2 - 1812 - 181
18METMETLEULEUchain WWI1 - 1271 - 127
28METMETLEULEUchain XXY1 - 1271 - 127
19METMETTRPTRPchain 55E1 - 1961 - 196
29METMETTRPTRPchain FFU1 - 1961 - 196
110METMETARGARGchain 44D26 - 40926 - 409
210METMETARGARGchain EET26 - 40926 - 409
111METMETARGARGchain AAJ1 - 1171 - 117
211METMETARGARGchain PPZ1 - 1171 - 117
112METMETGLYGLYchain KKL1 - 951 - 95
212METMETGLYGLYchain SSBA1 - 951 - 95
113METMETGLYGLYchain JJK1 - 1601 - 160
213METMETGLYGLYchain RRAA1 - 1601 - 160
114THRTHRTYRTYRchain HHP2 - 3542 - 354
214THRTHRTYRTYRchain QQFA2 - 3542 - 354
115METMETVALVALchain 33C1 - 7771 - 777
215METMETVALVALchain DDS1 - 7771 - 777
116PHEPHEGLUGLUchain 22B3 - 1803 - 180
216PHEPHEGLUGLUchain CCR3 - 1803 - 180

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16

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Components

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NADH-quinone oxidoreductase subunit ... , 15 types, 30 molecules 1B2C3D4E5F6G9O7IAPJRKSLTMUNVHQ

#1: Protein NADH-quinone oxidoreductase subunit 1 / NADH dehydrogenase I chain 1 / NDH-1 subunit 1


Mass: 48693.715 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56222, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#2: Protein NADH-quinone oxidoreductase subunit 2 / NADH dehydrogenase I chain 2 / NDH-1 subunit 2


Mass: 20309.162 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56221, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#3: Protein NADH-quinone oxidoreductase subunit 3 / NADH dehydrogenase I chain 3 / NDH-1 subunit 3


Mass: 86656.203 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56223, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#4: Protein NADH-quinone oxidoreductase subunit 4 / NADH dehydrogenase I chain 4 / NDH-1 subunit 4


Mass: 46428.027 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56220, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#5: Protein NADH-quinone oxidoreductase subunit 5 / NADH dehydrogenase I chain 5 / NDH-1 subunit 5


Mass: 23893.254 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56219, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#6: Protein NADH-quinone oxidoreductase subunit 6 / NADH dehydrogenase I subunit 6 / NDH-1 subunit 6


Mass: 20262.564 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56218, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#7: Protein NADH-quinone oxidoreductase subunit 9 / NADH dehydrogenase I subunit 9 / NDH-1 subunit 9


Mass: 20106.309 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56224, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#8: Protein NADH-quinone oxidoreductase subunit 15 / NADH dehydrogenase I chain 15 / NDH-1 subunit 15


Mass: 14812.074 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q5SKZ7, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#10: Protein NADH-quinone oxidoreductase subunit 7 / NADH dehydrogenase I chain 7 / NDH-1 subunit 7


Mass: 13154.656 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56217, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#11: Protein NADH-quinone oxidoreductase subunit 10 / NADH dehydrogenase I chain 10 / NDH-1 subunit 10


Mass: 18563.330 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56225, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#12: Protein NADH-quinone oxidoreductase subunit 11 / NADH dehydrogenase I chain 11 / NDH-1 subunit 11


Mass: 10002.788 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56226, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#13: Protein NADH-quinone oxidoreductase subunit 12 / NADH dehydrogenase I chain 12 / NDH-1 subunit 12


Mass: 65189.930 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56227, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#14: Protein NADH-quinone oxidoreductase subunit 13 / NADH dehydrogenase I chain 13 / NDH-1 subunit 13


Mass: 49247.117 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56228, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#15: Protein NADH-quinone oxidoreductase subunit 14 / NADH dehydrogenase I chain 14 / NDH-1 subunit 14


Mass: 44463.895 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q56229, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions
#16: Protein NADH-quinone oxidoreductase subunit 8 / NADH dehydrogenase I subunit 8 / NDH-1 subunit 8


Mass: 41034.523 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
References: UniProt: Q60019, Translocases; Catalysing the translocation of protons; Linked to oxidoreductase reactions

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Protein , 1 types, 2 molecules WX

#9: Protein DUF3197 domain-containing protein


Mass: 14201.612 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / References: UniProt: Q5SI52

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Non-polymers , 3 types, 20 molecules

#17: Chemical
ChemComp-SF4 / IRON/SULFUR CLUSTER


Mass: 351.640 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Fe4S4
#18: Chemical ChemComp-FMN / FLAVIN MONONUCLEOTIDE / RIBOFLAVIN MONOPHOSPHATE


Mass: 456.344 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C17H21N4O9P
#19: Chemical
ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER


Mass: 175.820 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Fe2S2

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Details

Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.95 Å3/Da / Density % sol: 68.9 %
Description: Data was merged from eleven isomorphous crystals.
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop
Details: 100 mM Bis-Tris pH 6.0, 26% (w/v) polyethylene glycol (PEG) 4000, 100 mM KCl, 100 mM glutaric acid pH 6.0 and 0.6% DDM

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Aug 2, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
Reflection twinOperator: -h,-k,h+l / Fraction: 0.49
ReflectionResolution: 3.1→58.67 Å / Num. obs: 300514 / % possible obs: 100 % / Redundancy: 21.2 % / CC1/2: 0.998 / Net I/σ(I): 6.7
Reflection shellResolution: 3.1→3.15 Å / Redundancy: 15 % / Mean I/σ(I) obs: 0.5 / Num. unique obs: 14755 / CC1/2: 0.306 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4hea

4hea


Resolution: 3.109→58.666 Å / Cross valid method: THROUGHOUT / Phase error: 22.61
Details: Model refined against data which was anisotropically truncated along a*, b* and c* to: 3.1, 3.4 and 3.1 angstrom, respectively.
RfactorNum. reflection% reflection
Rfree0.2289 2770 1.03 %
Rwork0.2044 --
obs0.211 268255 90.05 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 397.98 Å2 / Biso mean: 100.9513 Å2 / Biso min: 11 Å2
Refinement stepCycle: final / Resolution: 3.109→58.666 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms73896 0 190 0 74086
Biso mean--97.92 --
Num. residues----9550
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00776190
X-RAY DIFFRACTIONf_angle_d0.881103910
X-RAY DIFFRACTIONf_chiral_restr0.05111640
X-RAY DIFFRACTIONf_plane_restr0.00713100
X-RAY DIFFRACTIONf_dihedral_angle_d6.77444628
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11N3848X-RAY DIFFRACTION1.907TORSIONAL
12V3848X-RAY DIFFRACTION1.907TORSIONAL
2114344X-RAY DIFFRACTION1.907TORSIONAL
22B4344X-RAY DIFFRACTION1.907TORSIONAL
31M4210X-RAY DIFFRACTION1.907TORSIONAL
32U4210X-RAY DIFFRACTION1.907TORSIONAL
41L5562X-RAY DIFFRACTION1.907TORSIONAL
42T5562X-RAY DIFFRACTION1.907TORSIONAL
5171292X-RAY DIFFRACTION1.907TORSIONAL
52I1292X-RAY DIFFRACTION1.907TORSIONAL
6161622X-RAY DIFFRACTION1.907TORSIONAL
62G1622X-RAY DIFFRACTION1.907TORSIONAL
7191768X-RAY DIFFRACTION1.907TORSIONAL
72O1768X-RAY DIFFRACTION1.907TORSIONAL
81W1244X-RAY DIFFRACTION1.907TORSIONAL
82X1244X-RAY DIFFRACTION1.907TORSIONAL
9151998X-RAY DIFFRACTION1.907TORSIONAL
92F1998X-RAY DIFFRACTION1.907TORSIONAL
10143852X-RAY DIFFRACTION1.907TORSIONAL
102E3852X-RAY DIFFRACTION1.907TORSIONAL
111A1088X-RAY DIFFRACTION1.907TORSIONAL
112P1088X-RAY DIFFRACTION1.907TORSIONAL
121K860X-RAY DIFFRACTION1.907TORSIONAL
122S860X-RAY DIFFRACTION1.907TORSIONAL
131J1426X-RAY DIFFRACTION1.907TORSIONAL
132R1426X-RAY DIFFRACTION1.907TORSIONAL
141H3328X-RAY DIFFRACTION1.907TORSIONAL
142Q3328X-RAY DIFFRACTION1.907TORSIONAL
15137502X-RAY DIFFRACTION1.907TORSIONAL
152D7502X-RAY DIFFRACTION1.907TORSIONAL
16121770X-RAY DIFFRACTION1.907TORSIONAL
162C1770X-RAY DIFFRACTION1.907TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.1116-3.16520.3263300.35023344337423
3.1652-3.22270.3306720.30967016708847
3.2227-3.28460.3036860.2879404949064
3.2846-3.35160.31291440.2705114781162277
3.3516-3.42440.31291170.2595134671358490
3.4244-3.5040.29151550.246145641471999
3.504-3.59150.26341600.2414146711483199
3.5915-3.68850.27011450.2369147531489899
3.6885-3.79690.25881620.2271146041476699
3.7969-3.91930.20941490.2256147141486399
3.9193-4.05920.23151510.218147291488099
4.0592-4.22140.23821480.2091146871483599
4.2214-4.41310.22361560.2006146691482599
4.4131-4.64530.20081550.1944146881484399
4.6453-4.93550.21361640.1932146631482799
4.9355-5.31520.21351690.1949147441491399
5.3152-5.84770.23131540.2044147111486599
5.8477-6.68820.21831530.1991147021485599
6.6882-8.40520.20491250.178148021492799
8.4052-33.92280.22311640.1945148721503699
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.20220.01970.19290.09030.0070.6172-0.0270.02410.0143-0.036-0.05140.0663-0.146-0.1366-0.07661.165-0.0656-0.34611.2199-0.22650.5083-6.3055-19.9258149.2943
20.00190.0016-0.0030.0019-0.00020.00610.0590.0629-0.02220.0080.04440.0016-0.02770.0014-0.00070.97830.29140.2680.9250.13040.7496-22.7326-27.8435140.1337
30.3141-0.09440.21030.0331-0.06050.14020.1304-0.07940.05260.06030.0787-0.0378-0.0957-0.10950.09590.8791-0.12250.27321.2862-0.29480.5554-17.4876-25.955126.808
40.0995-0.0117-0.05730.04730.04220.06150.00920.0557-0.04930.01340.0173-0.0197-0.07240.16020.05820.7806-0.3141-0.11091.0608-0.02840.2861-2.7157-31.1511136.1637
50.03570.01740.0670.00780.0350.1288-0.12480.1857-0.0486-0.0893-0.0089-0.02390.12190.1308-0.13540.7015-0.1521-0.10560.6352-0.04340.2897-8.3096-32.7616127.6824
60.02920.0327-0.05410.1194-0.05840.1101-0.073-0.13290.11270.0171-0.27030.16830.0495-0.3213-0.94870.3907-0.16560.12791.3078-0.38750.21561.451-7.9408129.4492
70.1684-0.12510.04680.1118-0.09230.62620.0053-0.22650.07140.05060.0118-0.02660.1951-0.27620.26610.6787-0.2750.15320.5121-0.25770.313411.304-5.1911113.16
80.00920.00080.00240.0051-0.00420.0025-0.0232-0.01680.10010.0344-0.06850.0979-0.02270.08360.00020.6198-0.1624-0.01260.7504-0.02240.36154.2391-49.9395127.5131
90.00640.00420.00340.00390.00370.00230.0097-0.01620.03120.07930.038-0.1438-0.0236-0.00430.00030.75970.08750.00480.5440.03250.49619.7687-42.8051124.9594
100.042-0.0040.04560.0008-0.00230.04660.0054-0.0361-0.0093-0.01980.0180.02490.016-0.04640.01840.43980.135-0.15230.5353-0.01070.336511.9861-44.4933116.3397
11-0.0002-0.00010.00060.00210.0010.00550.0022-0.00250.0352-0.03240.01030.02890.0055-0.059601.09510.1162-0.03661.10090.06681.064618.4084-34.9991122.6519
120.00460.00050.01450.00010.00310.0282-0.02110.01010.0217-0.0231-0.03710.0101-0.0458-0.0612-0.04370.9847-0.2478-0.41460.9771-0.16970.487718.907-19.3449128.641
130.0179-0.00150.01960.0185-0.01080.028-0.01040.01260.0041-0.04740.01040.0114-0.0391-0.06460.0120.8605-0.3879-0.04261.2077-0.05090.343628.773-17.7163126.8192
140.00110.00160.00070.00240.00050-0.01430.0420.066-0.02010.03740.0085-0.0123-0.01790.00030.7402-0.08290.07370.7865-0.10940.445131.8463-30.3705124.4566
150.0045-0.0034-0.00180.00340.00460.0047-0.0232-0.01890.0618-0.04130.00050.07260.0014-0.0924-0.00010.6563-0.22890.01070.848-0.10070.46917.1228-21.5297129.7611
160.00150.0010.00080.00140.0002-0.0001-0.00060.0134-0.01350.0158-0.00560.0080.0042-0.0086-0.0590.8854-0.1585-0.52321.3118-0.16860.822618.1501-25.1145135.6936
170.00640.006-0.00540.005-0.00510.00620.0025-0.00470.00880.0108-0.01330.00670.00480.0024-0.02250.9872-0.2152-0.4731.1945-0.29360.746229.3546-22.9932138.2243
180.0074-0.00210.00190.0022-0.00190.0011-0.0022-0.0050.00010.0025-0.0105-0.01730.00890.0119-0.00021.3132-0.1323-0.2041.18410.07041.120125.2768-33.3941143.7365
19-0.0007-0.0005-00.00050.00480.01120.04990.01060.03390.0247-0.01530.0110.0122-0.00940.00051.35560.05070.01612.0086-0.37950.62116.5563-16.5174145.4066
200.85010.669-0.3780.7815-0.31150.1492-0.1936-0.2422-0.11440.0455-0.0194-0.2717-0.1677-0.2412-0.57660.46340.0537-0.19550.4275-0.12420.3206-7.8548-20.691595.0214
210.22480.1882-0.04440.1845-0.01710.01380.13550.2846-0.1109-0.04470.1037-0.06320.07380.08040.67990.3108-0.1262-0.22130.7478-0.03130.22269.8758-24.407996.229
220.0476-0.0639-0.09410.19490.14490.39770.1082-0.1770.1364-0.22780.1515-0.0256-0.2170.0950.45040.2304-0.1968-0.1064-0.15120.0820.56636.0489-42.715487.2157
230.13990.142-0.05310.2312-0.01780.043-0.03940.02910.0289-0.0942-0.07330.04070.1179-0.1444-0.21640.36110.09950.23680.5030.00750.31196.2809-70.510360.3169
240.02710.10010.07760.51630.11960.48350.025-0.2784-0.09060.36160.269-0.09680.0122-0.28541.28330.23380.0496-0.1180.4755-0.00510.0856-11.3953-54.365791.1481
250.02010.01320.01780.25290.03130.0263-0.0173-0.1394-0.07920.18890.00540.16890.1330.2195-0.15140.2221-0.07720.08970.75740.17920.3108-8.622-69.355587.8098
260.0361-0.0230.00510.02640.00580.197-0.1235-0.10580.0830.0778-0.0367-0.1077-0.2116-0.0097-0.06320.3113-0.0903-0.26530.4090.15720.4998-3.2406-57.860765.865
270.1702-0.00970.0320.1293-0.11060.17510.157-0.0887-0.1722-0.0307-0.02560.04410.12530.0774-0.10570.2029-0.2099-0.1040.1404-0.07890.6003-1.6605-63.90886.3847
280.03750.0466-0.02890.08080.04210.30910.05070.08220.0268-0.04550.2129-0.11630.0041-0.08410.44540.2211-0.2993-0.09490.27710.12950.584810.633-71.850396.3348
290.141-0.1021-0.04760.40550.12150.1306-0.00460.14490.14560.3619-0.0329-0.1791-0.0039-0.0045-0.21280.48970.0628-0.2781-0.0126-0.03230.77495.6442-7.632250.545
300.02-0.02550.01850.0242-0.01980.02130.1084-0.00520.09150.2016-0.1272-0.17690.10070.04240.11891.2439-0.05810.42930.26850.03250.700921.16292.141454.2234
310.09440.0608-0.00470.05620.02180.0334-0.1174-0.10170.03020.1245-0.0187-0.0499-0.1696-0.0583-0.28910.88550.3514-0.18060.82110.35870.66960.00448.181838.4983
320.03470.0567-0.01110.1713-0.12850.15610.22730.00970.11170.2552-0.0030.1351-0.0488-0.11250.3920.8645-0.0131-0.05860.06740.19250.36134.5547-1.640458.8116
330.00320.0001-0.0017-0.0001-0.00010-0.03250.0187-0.00420.0166-0.0244-0.0060.0320.0299-0.00021.80650.74410.1642.39330.00552.1408-24.93176.171862.328
340.00790.0001-0.00210.00280.00240.00440.0979-0.0110.0229-0.03020.06220.0453-0.03050.09960.00010.940.27040.31521.02090.1491.061-19.8756-4.304565.1166
350.00450.00540.00240.00570.00260.00160.002-0.02450.0111-0.0131-0.0355-0.03190.00910.0029-0.01640.88940.3658-0.36680.97330.14870.7907-26.1906-2.680352.4264
360.0715-0.04210.00070.0565-0.02560.0734-0.0180.0942-0.0194-0.0259-0.04540.0317-0.044-0.0485-0.02060.19430.1682-0.04430.66650.08670.5577-15.3305-11.847260.2384
370.126-0.03690.02570.02070.02270.1001-0.0843-0.04320.0233-0.0053-0.04540.00750.02150.0458-0.21510.34580.31160.07320.60050.2650.5431-14.04782.993753.6678
380.032-0.02140.01280.0143-0.01160.00940.0346-0.0359-0.0227-0.0304-0.00810.0418-0.0041-0.01250.07750.27840.2598-0.04370.5440.09220.2853-19.8066-10.555553.1819
390.0606-0.0575-0.04180.07280.02880.03580.01250.0004-0.01480.0005-0.01050.01360.0150.0271-0.08040.21570.0989-0.06380.7442-0.36160.3913-11.0507-13.562846.5213
400.0932-0.0174-0.10530.0497-0.00830.13250.04160.1253-0.0133-0.019-0.0642-0.0385-0.0484-0.1162-0.03060.23350.0814-0.27280.30890.11530.3445-11.8783-18.881944.2171
410.0033-0.011-0.02570.04880.05130.35740.17180.0005-0.0390.01370.104-0.07470.0098-0.060.41490.3846-0.001-0.10910.07050.05380.43264.04-30.181161.9333
420.0051-0.00060.00170.0011-0.00260.0045-0.0202-0.02260.02420.03650.0007-0.07160.04310.0166-0.00010.5811-0.06190.04110.6968-0.06570.8114-4.0922-26.561980.4397
430.0204-0.0031-0.0080.00050.00020.0084-0.0280.0071-0.04370.00380.0053-0.00220.0276-0.0074-0.02360.53120.0260.23120.5230.040.3812-3.9333-9.895781.4624
440.022-0.0133-0.02210.01470.01920.02780.00990.00320.0460.0551-0.0030.0107-0.09350.0016-0.00880.4605-0.04540.03720.33880.25620.511539.0928-29.740430.7708
450.01730.0270.01830.0940.05670.0382-0.0412-0.02370.0352-0.1698-0.1380.09730.0027-0.1044-0.01080.73310.23720.25820.83990.13040.490421.1535-13.757641.7443
460.01980.0094-0.0140.0071-0.0010.0125-0.10020.04870.04820.0329-0.1469-0.1346-0.07890.0034-0.00231.923-0.65780.23352.4451-0.33991.510226.3412-14.576435.351
470.1659-0.0538-0.00390.2592-0.05850.112-0.1614-0.01730.07480.1174-0.1265-0.1481-0.13460.1118-0.62490.43180.0259-0.05830.08570.11380.722620.6653-27.005343.9696
480.01320.022-0.02210.0796-0.00840.05650.00260.01910.00320.01260.0054-0.0145-0.0117-0.03710.01590.8029-0.23060.18390.51530.44270.586126.538412.58632.1618
490.00920.04120.02190.21190.08360.0642-0.0753-0.0190.03910.171-0.1294-0.00570.0276-0.0748-0.07280.4297-0.25860.02190.4459-0.06150.616233.4756-6.626653.1058
500.01170.0070.02320.00450.00330.08110.02460.02520.0304-0.06630.03890.0292-0.0101-0.03510.08010.4321-0.2476-0.05660.14070.09120.505931.2586-21.507773.7288
510.0205-0.0533-0.02070.16260.01740.0957-0.0082-0.00750.1108-0.061-0.02120.0479-0.14160.0479-0.05230.428-0.1431-0.11070.0217-0.02980.46519.6711-27.357574.1199
520.03850.07350.00390.12120.04020.15430.0908-0.06350.1550.15140.0606-0.0208-0.07970.07960.65630.4454-0.3140.00440.1135-0.05620.41223.3549-26.450173.804
530.0772-0.07760.08860.0743-0.08510.09520.06170.049-0.0474-0.1403-0.0867-0.00430.02340.0447-0.00180.35880.09350.00760.17940.14960.439427.8222-25.339159.4561
540.04330.00420.04310.03040.0180.04850.016-0.1052-0.0333-0.02320.0169-0.01910.0207-0.10490.03520.17450.0537-0.13960.18790.08060.337237.4879-21.394959.9752
550.0301-0.0003-0.01910.0535-0.03250.0328-0.03630.01680.0346-0.0206-0.08240.0242-0.0601-0.0167-0.03440.5509-0.1239-0.06310.6667-0.04210.213637.7269-11.938168.7265
560.13380.0159-0.06730.003-0.02510.25370.11520.2463-0.0353-0.03280.1153-0.06230.06740.08410.14710.2819-0.0779-0.0731.17050.06930.547437.3519-25.2672102.8545
570.3427-0.1508-0.32530.1220.1930.35560.1503-0.1069-0.0512-0.09870.1864-0.10370.0150.02330.37080.5568-0.1068-0.25210.2609-0.02670.484529.1217-24.463892.3528
580.0150.0226-0.00530.0417-0.00720.0033-0.11380.13090.1849-0.0259-0.0369-0.015-0.1590.1068-0.01040.8079-0.3701-0.27260.64250.21990.814925.3104-25.2309102.4962
590.0032-0.0049-0.00390.00560.00910.0167-0.0864-0.0592-0.00620.05210.01940.04060.00770.0839-00.7586-0.0525-0.11560.8117-0.23890.541230.0644-22.5674112.7057
600.017-0.0233-0.02310.04940.0540.0594-0.0025-0.04060-0.00660.0551-0.0140.03170.16820.08270.3642-0.1571-0.14570.54790.14020.299931.66-36.6854112.8937
610.0113-0.0025-0.0010.00040.00030.00070.0263-0.0168-0.01480.0353-0.0117-0.0373-0.00450.0021-0.00810.4404-0.1326-0.07260.4396-0.02520.3257-0.5709-53.147751.7627
620.0905-0.08980.0110.090.00730.1511-0.0945-0.04180.054-0.0209-0.00560.0129-0.04670.0204-0.1770.41370.1783-0.13420.3872-0.18020.27480.5253-48.5841.362
630.02470.01070.01910.00520.00830.0157-0.0081-0.01670.0042-0.00220.035-0.01140.0052-0.01990.0380.7120.3040.41721.05540.03660.756215.403-42.313752.8276
640.14310.0425-0.09750.1247-0.11930.1394-0.0602-0.07550.0166-0.0372-0.0113-0.00640.02690.2279-0.10490.39340.0423-0.10710.4342-0.15560.36471.4393-47.586347.2344
65-0.0004-0.00910.01540.1484-0.11950.1157-0.03830.03480.01340.07640.0135-0.021-0.1012-0.06240.03860.38010.0037-0.17360.3892-0.07940.19676.4947-43.7341.0874
660.0053-0.0001-0.001-0.0002-0.00050.00130.01120.00040.00360.0082-0.0209-0.0495-0.00580.007-0.00010.69020.1018-0.05390.62480.02580.40220.2738-44.7559.4299
670.04090.02560.01590.01560.00960.0060.0306-0.02330.0142-0.00760.0554-0.0194-0.03020.04330.00410.5406-0.3876-0.13460.9048-0.06120.6282-4.8683-37.265653.8513
680.0073-0.00640.00730.0053-0.00630.01290.0002-0.0082-0.00120.01130.00160.00240.0059-0.0001-0.01590.34180.1011-0.03530.59150.11540.330110.25-37.937842.2253
690.1819-0.01080.01690.07180.01810.54520.1657-0.09570.1311-0.07920.09750.025-0.04410.27350.68040.25720.14290.16260.26140.05230.318419.2383-12.17257.0446
700.0901-0.0433-0.08320.02090.04010.07390.04640.10440.02430.0512-0.16850.06260.22570.0081-0.08811.122-0.23990.14350.89370.24880.45818.087812.57-1.7883
710.0407-0.0051-0.00050.0692-0.05760.06750.00820.03970.009-0.0473-0.07290.06290.03870.0562-0.04921.08360.1315-0.23360.8882-0.31320.530820.0379-23.3495-11.3872
720.0867-0.0539-0.0030.0563-0.0054-0.0001-0.02410.03770.01010.02010.07350.0226-0.06570.02960.41980.55760.2916-0.31050.81270.26850.802217.3132-11.0997-5.3488
730.00010.006-0.00680.0087-0.0080.00460.1919-0.2506-0.15170.2606-0.0790.13850.2005-0.1666-0.00140.94490.00390.00920.80710.0910.49591.986-26.3053-13.137
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1620.00080.00130.00110.00330.00220.00190.0317-0.0322-0.0348-0.0010.05120.0484-0.0014-0.0467-0.00091.3248-0.1510.16431.321-0.67991.595743.1804-78.058298.3106
1630.0065-0.00350.00740.0018-0.00450.0073-0.10580.0794-0.0409-0.0213-0.0323-0.0663-0.00490.0560.00030.5277-0.04030.0030.8572-0.05630.322257.8467-72.336299.7179
1640.00090.0059-0.00060.0877-0.0250.00730.03950.0496-0.05270.07590.0615-0.0109-0.01280.02850.00130.7664-0.0664-0.30951.1617-0.04880.481351.3323-84.2118102.689
1650.0469-0.0569-0.02990.07380.04450.0333-0.0090.0004-0.0362-0-0.1005-0.04110.01680.0535-0.04730.8985-0.50520.37740.9785-0.22290.624749.1959-78.066583.7288
1660.0998-0.02140.06460.0556-0.02160.0406-0.04690.1948-0.0255-0.0418-0.05180.0304-0.0593-0.2191-0.08920.44120.15-0.17160.7402-0.27270.563450.0138-85.022994.4842
1670.10320.10140.11830.14490.06380.10360.35720.10430.12840.0622-0.1119-0.1984-0.10.31170.09780.37840.0080.08750.36230.00350.355169.4757-101.607130.8069
1680.0689-0.0440.06820.0785-0.10930.15530.0209-0.16130.0795-0.1444-0.17830.1288-0.18140.0695-0.13671.3978-0.0879-0.74740.83750.01511.037660.9449-124.6878144.607
1690.1245-0.10870.17430.1057-0.11820.34930.06320.0630.0913-0.118-0.00720.0943-0.07910.01990.11131.1499-0.07820.07210.55530.47810.8559.824-136.9371148.9541
1700.00370.0078-0.00770.0223-0.01930.0173-0.03890.0136-0.02160.03-0.01950.0210.01420.0003-0.00060.59270.0628-0.3360.90780.08040.709446.3151-127.0161133.8943
1710.0144-0.0007-0.02220.0030.00540.0381-0.01630.03290.0111-0.0628-0.0169-0.04610.0028-0.014-0.01221.154-0.31860.00180.46360.09580.452167.9691-98.7538154.9777
1720.19180.0345-0.17680.03690.01730.22950.03560.13660.1167-0.07140.10710.13950.0062-0.08820.34990.4379-0.2461-0.26970.64120.37910.496568.5242-111.4087151.1504
1730.003-0.00040.00220.00250.00060.00160.0101-0.0186-0.050.00230.0469-0.00010.0142-0.00140.00040.8315-0.1802-0.06130.42390.02380.464855.4701-110.9552140.3101
1740.0009-0.00210.00050.0040.00370.00610.00920.09620.0182-0.00280.04320.00720.0078-0.0343-0.00010.93990.0023-0.23491.02450.3990.723845.092-95.8904143.859
1750.01120.04220.0030.16470.0180.006-0.0143-0.0234-0.04090.0611-0.0651-0.02210.0107-0.0388-0.24040.527-0.28150.08550.4128-0.21920.369753.4777-95.9832165.5754
1760.1355-0.030.11960.006-0.02570.10460.0872-0.01530.03670.0485-0.04530.0685-0.03830.06830.10750.47050.01570.27970.67340.14590.604874.9093-113.8151170.6594
1770.00690.03820.0030.32550.06630.01640.00920.0162-0.02640.3553-0.0548-0.08490.1603-0.0396-0.01910.55490.1279-0.06541.10360.15240.269156.936-128.5313154.2114
1780.11580.06450.09360.24460.09430.08530.15310.10690.01150.20480.0472-0.2306-0.0645-0.24270.01140.6838-0.0945-0.12070.57510.08910.284258.4173-101.5519160.0179
1790.01410.0187-0.03280.0983-0.02160.0762-0.0214-0.0172-0.05190.1185-0.0332-0.00710.10040.03460.03140.5141-0.21780.13740.64770.25280.390859.4094-114.4679157.426
1800.002-0.0025-0.00150.00310.0020.00130.01680.00120.04680.03280.02370.0095-0.02960.0016-00.5448-0.07920.01790.98950.18870.41240.1835-107.5246140.6136
1810.0063-0.0014-0.00140.0022-0.00420.0072-0.01480.0236-0.0033-0.0021-0.00480.0005-00.03410.00010.80950.0605-0.32611.1599-0.01560.839633.5179-102.5849151.3303
1820.0038-0.0215-0.00430.11980.01890.0033-0.03480.12910.08190.1989-0.09850.34050.00370.2424-0.01810.4199-0.16550.07610.72720.06480.5794-22.1386-120.8593219.0262
1830.1634-0.01060.07530.0111-0.01830.14770.0114-0.0571-0.0220.2172-0.1083-0.0388-0.2831-0.4077-0.02130.5135-0.1331-0.37971.61280.13920.4255-17.5485-102.191217.4127
1840.07350.01570.03770.1636-0.01650.0113-0.00910.0993-0.0416-0.1069-0.0027-0.14090.0216-0.18640.01160.67490.0254-0.01210.5864-0.04330.321-33.2477-91.7318222.9615
185-0.0014-0.0030.00040.00450.00770.0097-0.0349-0.1039-0.0558-0.05870.0054-0.0320.01520.03240.00011.01590.1835-0.07811.19210.28630.6782-46.7139-100.5338215.4896
1860.00030.0050.00290.02290.00910.0032-0.16380.1196-0.2047-0.1327-0.19790.12460.1142-0.07010.00051.0274-0.11040.22321.27860.11620.8249-22.7546-98.3324242.0745
1870.04030.1353-0.02950.4549-0.1180.03120.20520.568-0.1415-0.2721-0.0990.40120.01160.28680.06230.88560.0201-0.40621.1915-0.02730.7627-32.0118-79.6921218.2295
1880.3074-0.25980.05280.95940.27920.28190.0254-0.0335-0.1435-0.183-0.063-0.27490.0169-0.0654-0.21440.40610.0386-0.28040.3136-0.00920.292623.1789-98.1833175.6339
1890.0830.0320.01790.17260.12380.1069-0.2081-0.0305-0.14840.0882-0.28790.05020.12920.0164-0.53590.273-0.09760.09530.89850.07670.55756.1639-132.5272193.4928
1900.0875-0.0023-0.14070.06680.01650.1980.0213-0.0114-0.05530.1469-0.1558-0.00970.06190.4923-0.50490.3519-0.1184-0.10721.15430.11030.164912.9011-113.2506193.5066
1910.2003-0.13150.1720.2640.02880.2647-0.0533-0.26720.09110.1297-0.0193-0.3446-0.08340.11940.07590.78440.1625-0.36560.75210.04080.4072-7.0389-109.7359199.076
1920.0843-0.05580.02520.0296-0.02180.01780.007-0.2166-0.12660.1379-0.0186-0.22210.06750.2303-0.07331.1091-0.019-0.6731.7599-0.04361.0123-5.4071-120.1989202.9143
1930.0039-0.00440.00750.0059-0.01430.0521-0.0514-0.03780.0641-0.15-0.00930.0704-0.00170.0099-0.04440.4619-0.00780.06550.06670.09620.846440.5214-140.0347154.8265
1940.01480.0207-0.00280.03690.00450.0082-0.05050.15130.1632-0.0583-0.00290.3373-0.0321-0.0481-0.00070.5578-0.051-0.05610.81680.09350.419142.7495-135.3833169.3201
1950.0276-0.0188-0.03550.01160.02180.0402-0.14960.07050.0434-0.08150.1897-0.1846-0.1111-0.2241-0.00080.39820.0420.06710.62190.11360.610442.3012-126.0229156.3653
1960.011-0.02840.0030.1097-0.06120.1487-0.0472-0.15930.0025-0.0340.14420.15320.0835-0.204-0.00670.5832-0.2016-0.25730.91320.12020.210445.6086-115.4992166.2026
1970.04750.00090.0431-0.0012-0.01790.07350.1664-0.0454-0.05760.1017-0.0943-0.0241-0.0632-0.2280.18750.5124-0.1373-0.26751.24250.22610.184927.6601-119.0984172.4475
1980.04760.0073-0.06030.0834-0.09490.1505-0.109-0.11630.06290.1910.3024-0.035-0.2103-0.19770.02780.51710.0551-0.14241.26440.21580.538221.8793-124.3964171.8876
1990.06560.0172-0.03910.1008-0.01070.07390.07910.1675-0.2474-0.1375-0.00660.43840.00870.04440.05180.27050.0117-0.1850.62590.09210.532882.2445-110.1763127.0268
2000.05740.04540.05120.03230.02730.0364-0.0979-0.1749-0.1160.04-0.0637-0.040.05310.0366-0.68480.5212-0.01540.08730.4810.05840.176.6199-121.9779132.7758
2010.19160.0926-0.17250.3105-0.18140.183-0.0239-0.2524-0.10130.16370.0578-0.0339-0.1460.00580.09420.60730.29640.31990.7640.37260.610168.3439-139.0695134.424
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain '1' and (resid 2 through 38 )12 - 38
2X-RAY DIFFRACTION2chain '1' and (resid 39 through 60 )139 - 60
3X-RAY DIFFRACTION3chain '1' and (resid 61 through 86 )161 - 86
4X-RAY DIFFRACTION4chain '1' and (resid 87 through 155 )187 - 155
5X-RAY DIFFRACTION5chain '1' and (resid 156 through 232 )1156 - 232
6X-RAY DIFFRACTION6chain '1' and (resid 233 through 366 )1233 - 366
7X-RAY DIFFRACTION7chain '1' and (resid 367 through 438 )1367 - 438
8X-RAY DIFFRACTION8chain '2' and (resid 3 through 22 )23 - 22
9X-RAY DIFFRACTION9chain '2' and (resid 23 through 38 )223 - 38
10X-RAY DIFFRACTION10chain '2' and (resid 39 through 66 )239 - 66
11X-RAY DIFFRACTION11chain '2' and (resid 67 through 77 )267 - 77
12X-RAY DIFFRACTION12chain '2' and (resid 78 through 92 )278 - 92
13X-RAY DIFFRACTION13chain '2' and (resid 93 through 104 )293 - 104
14X-RAY DIFFRACTION14chain '2' and (resid 105 through 116 )2105 - 116
15X-RAY DIFFRACTION15chain '2' and (resid 117 through 132 )2117 - 132
16X-RAY DIFFRACTION16chain '2' and (resid 133 through 146 )2133 - 146
17X-RAY DIFFRACTION17chain '2' and (resid 147 through 158 )2147 - 158
18X-RAY DIFFRACTION18chain '2' and (resid 159 through 165 )2159 - 165
19X-RAY DIFFRACTION19chain '2' and (resid 166 through 180 )2166 - 180
20X-RAY DIFFRACTION20chain '3' and (resid 1 through 137 )31 - 137
21X-RAY DIFFRACTION21chain '3' and (resid 138 through 193 )3138 - 193
22X-RAY DIFFRACTION22chain '3' and (resid 194 through 309 )3194 - 309
23X-RAY DIFFRACTION23chain '3' and (resid 310 through 350 )3310 - 350
24X-RAY DIFFRACTION24chain '3' and (resid 351 through 460 )3351 - 460
25X-RAY DIFFRACTION25chain '3' and (resid 461 through 595 )3461 - 595
26X-RAY DIFFRACTION26chain '3' and (resid 596 through 667 )3596 - 667
27X-RAY DIFFRACTION27chain '3' and (resid 668 through 719 )3668 - 719
28X-RAY DIFFRACTION28chain '3' and (resid 720 through 777 )3720 - 777
29X-RAY DIFFRACTION29chain '4' and (resid 26 through 139 )426 - 139
30X-RAY DIFFRACTION30chain '4' and (resid 140 through 208 )4140 - 208
31X-RAY DIFFRACTION31chain '4' and (resid 209 through 247 )4209 - 247
32X-RAY DIFFRACTION32chain '4' and (resid 248 through 409 )4248 - 409
33X-RAY DIFFRACTION33chain '5' and (resid 1 through 13 )51 - 13
34X-RAY DIFFRACTION34chain '5' and (resid 14 through 31 )514 - 31
35X-RAY DIFFRACTION35chain '5' and (resid 32 through 43 )532 - 43
36X-RAY DIFFRACTION36chain '5' and (resid 44 through 67 )544 - 67
37X-RAY DIFFRACTION37chain '5' and (resid 68 through 86 )568 - 86
38X-RAY DIFFRACTION38chain '5' and (resid 87 through 109 )587 - 109
39X-RAY DIFFRACTION39chain '5' and (resid 110 through 121 )5110 - 121
40X-RAY DIFFRACTION40chain '5' and (resid 122 through 141 )5122 - 141
41X-RAY DIFFRACTION41chain '5' and (resid 142 through 175 )5142 - 175
42X-RAY DIFFRACTION42chain '5' and (resid 176 through 185 )5176 - 185
43X-RAY DIFFRACTION43chain '5' and (resid 186 through 196 )5186 - 196
44X-RAY DIFFRACTION44chain '6' and (resid 20 through 34 )620 - 34
45X-RAY DIFFRACTION45chain '6' and (resid 35 through 56 )635 - 56
46X-RAY DIFFRACTION46chain '6' and (resid 57 through 77 )657 - 77
47X-RAY DIFFRACTION47chain '6' and (resid 78 through 181 )678 - 181
48X-RAY DIFFRACTION48chain '9' and (resid 2 through 18 )92 - 18
49X-RAY DIFFRACTION49chain '9' and (resid 19 through 38 )919 - 38
50X-RAY DIFFRACTION50chain '9' and (resid 39 through 48 )939 - 48
51X-RAY DIFFRACTION51chain '9' and (resid 49 through 74 )949 - 74
52X-RAY DIFFRACTION52chain '9' and (resid 75 through 112 )975 - 112
53X-RAY DIFFRACTION53chain '9' and (resid 113 through 135 )9113 - 135
54X-RAY DIFFRACTION54chain '9' and (resid 136 through 167 )9136 - 167
55X-RAY DIFFRACTION55chain '9' and (resid 168 through 181 )9168 - 181
56X-RAY DIFFRACTION56chain '7' and (resid 3 through 27 )73 - 27
57X-RAY DIFFRACTION57chain '7' and (resid 28 through 60 )728 - 60
58X-RAY DIFFRACTION58chain '7' and (resid 61 through 81 )761 - 81
59X-RAY DIFFRACTION59chain '7' and (resid 82 through 111 )782 - 111
60X-RAY DIFFRACTION60chain '7' and (resid 112 through 129 )7112 - 129
61X-RAY DIFFRACTION61chain 'W' and (resid 1 through 9 )W1 - 9
62X-RAY DIFFRACTION62chain 'W' and (resid 10 through 35 )W10 - 35
63X-RAY DIFFRACTION63chain 'W' and (resid 36 through 46 )W36 - 46
64X-RAY DIFFRACTION64chain 'W' and (resid 47 through 69 )W47 - 69
65X-RAY DIFFRACTION65chain 'W' and (resid 70 through 95 )W70 - 95
66X-RAY DIFFRACTION66chain 'W' and (resid 96 through 106 )W96 - 106
67X-RAY DIFFRACTION67chain 'W' and (resid 107 through 117 )W107 - 117
68X-RAY DIFFRACTION68chain 'W' and (resid 118 through 127 )W118 - 127
69X-RAY DIFFRACTION69chain 'A' and (resid 2 through 88 )A2 - 88
70X-RAY DIFFRACTION70chain 'A' and (resid 89 through 117 )A89 - 117
71X-RAY DIFFRACTION71chain 'J' and (resid 1 through 24 )J1 - 24
72X-RAY DIFFRACTION72chain 'J' and (resid 25 through 73 )J25 - 73
73X-RAY DIFFRACTION73chain 'J' and (resid 74 through 108 )J74 - 108
74X-RAY DIFFRACTION74chain 'J' and (resid 109 through 160 )J109 - 160
75X-RAY DIFFRACTION75chain 'K' and (resid 1 through 23 )K1 - 23
76X-RAY DIFFRACTION76chain 'K' and (resid 24 through 51 )K24 - 51
77X-RAY DIFFRACTION77chain 'K' and (resid 52 through 78 )K52 - 78
78X-RAY DIFFRACTION78chain 'K' and (resid 79 through 86 )K79 - 86
79X-RAY DIFFRACTION79chain 'K' and (resid 87 through 95 )K87 - 95
80X-RAY DIFFRACTION80chain 'L' and (resid 1 through 70 )L1 - 70
81X-RAY DIFFRACTION81chain 'L' and (resid 71 through 425 )L71 - 425
82X-RAY DIFFRACTION82chain 'L' and (resid 426 through 458 )L426 - 458
83X-RAY DIFFRACTION83chain 'L' and (resid 459 through 510 )L459 - 510
84X-RAY DIFFRACTION84chain 'L' and (resid 511 through 542 )L511 - 542
85X-RAY DIFFRACTION85chain 'L' and (resid 543 through 605 )L543 - 605
86X-RAY DIFFRACTION86chain 'M' and (resid 1 through 114 )M1 - 114
87X-RAY DIFFRACTION87chain 'M' and (resid 115 through 414 )M115 - 414
88X-RAY DIFFRACTION88chain 'M' and (resid 415 through 467 )M415 - 467
89X-RAY DIFFRACTION89chain 'N' and (resid 1 through 127 )N1 - 127
90X-RAY DIFFRACTION90chain 'N' and (resid 128 through 187 )N128 - 187
91X-RAY DIFFRACTION91chain 'N' and (resid 188 through 357 )N188 - 357
92X-RAY DIFFRACTION92chain 'N' and (resid 358 through 395 )N358 - 395
93X-RAY DIFFRACTION93chain 'N' and (resid 396 through 427 )N396 - 427
94X-RAY DIFFRACTION94chain 'H' and (resid 2 through 42 )H2 - 42
95X-RAY DIFFRACTION95chain 'H' and (resid 43 through 104 )H43 - 104
96X-RAY DIFFRACTION96chain 'H' and (resid 105 through 147 )H105 - 147
97X-RAY DIFFRACTION97chain 'H' and (resid 148 through 262 )H148 - 262
98X-RAY DIFFRACTION98chain 'H' and (resid 263 through 296 )H263 - 296
99X-RAY DIFFRACTION99chain 'H' and (resid 297 through 334 )H297 - 334
100X-RAY DIFFRACTION100chain 'H' and (resid 335 through 354 )H335 - 354
101X-RAY DIFFRACTION101chain 'B' and (resid 2 through 38 )B2 - 38
102X-RAY DIFFRACTION102chain 'B' and (resid 39 through 60 )B39 - 60
103X-RAY DIFFRACTION103chain 'B' and (resid 61 through 124 )B61 - 124
104X-RAY DIFFRACTION104chain 'B' and (resid 125 through 267 )B125 - 267
105X-RAY DIFFRACTION105chain 'B' and (resid 268 through 366 )B268 - 366
106X-RAY DIFFRACTION106chain 'B' and (resid 367 through 395 )B367 - 395
107X-RAY DIFFRACTION107chain 'B' and (resid 396 through 438 )B396 - 438
108X-RAY DIFFRACTION108chain 'C' and (resid 3 through 22 )C3 - 22
109X-RAY DIFFRACTION109chain 'C' and (resid 23 through 38 )C23 - 38
110X-RAY DIFFRACTION110chain 'C' and (resid 39 through 53 )C39 - 53
111X-RAY DIFFRACTION111chain 'C' and (resid 54 through 66 )C54 - 66
112X-RAY DIFFRACTION112chain 'C' and (resid 67 through 77 )C67 - 77
113X-RAY DIFFRACTION113chain 'C' and (resid 78 through 92 )C78 - 92
114X-RAY DIFFRACTION114chain 'C' and (resid 93 through 104 )C93 - 104
115X-RAY DIFFRACTION115chain 'C' and (resid 105 through 116 )C105 - 116
116X-RAY DIFFRACTION116chain 'C' and (resid 117 through 146 )C117 - 146
117X-RAY DIFFRACTION117chain 'C' and (resid 147 through 158 )C147 - 158
118X-RAY DIFFRACTION118chain 'C' and (resid 159 through 180 )C159 - 180
119X-RAY DIFFRACTION119chain 'D' and (resid 1 through 128 )D1 - 128
120X-RAY DIFFRACTION120chain 'D' and (resid 129 through 193 )D129 - 193
121X-RAY DIFFRACTION121chain 'D' and (resid 194 through 309 )D194 - 309
122X-RAY DIFFRACTION122chain 'D' and (resid 310 through 350 )D310 - 350
123X-RAY DIFFRACTION123chain 'D' and (resid 351 through 546 )D351 - 546
124X-RAY DIFFRACTION124chain 'D' and (resid 547 through 594 )D547 - 594
125X-RAY DIFFRACTION125chain 'D' and (resid 595 through 667 )D595 - 667
126X-RAY DIFFRACTION126chain 'D' and (resid 668 through 719 )D668 - 719
127X-RAY DIFFRACTION127chain 'D' and (resid 720 through 777 )D720 - 777
128X-RAY DIFFRACTION128chain 'E' and (resid 26 through 53 )E26 - 53
129X-RAY DIFFRACTION129chain 'E' and (resid 54 through 139 )E54 - 139
130X-RAY DIFFRACTION130chain 'E' and (resid 140 through 208 )E140 - 208
131X-RAY DIFFRACTION131chain 'E' and (resid 209 through 232 )E209 - 232
132X-RAY DIFFRACTION132chain 'E' and (resid 233 through 409 )E233 - 409
133X-RAY DIFFRACTION133chain 'F' and (resid 1 through 13 )F1 - 13
134X-RAY DIFFRACTION134chain 'F' and (resid 14 through 31 )F14 - 31
135X-RAY DIFFRACTION135chain 'F' and (resid 32 through 86 )F32 - 86
136X-RAY DIFFRACTION136chain 'F' and (resid 87 through 121 )F87 - 121
137X-RAY DIFFRACTION137chain 'F' and (resid 122 through 175 )F122 - 175
138X-RAY DIFFRACTION138chain 'F' and (resid 176 through 196 )F176 - 196
139X-RAY DIFFRACTION139chain 'G' and (resid 20 through 34 )G20 - 34
140X-RAY DIFFRACTION140chain 'G' and (resid 35 through 56 )G35 - 56
141X-RAY DIFFRACTION141chain 'G' and (resid 57 through 88 )G57 - 88
142X-RAY DIFFRACTION142chain 'G' and (resid 89 through 158 )G89 - 158
143X-RAY DIFFRACTION143chain 'G' and (resid 159 through 168 )G159 - 168
144X-RAY DIFFRACTION144chain 'G' and (resid 169 through 181 )G169 - 181
145X-RAY DIFFRACTION145chain 'O' and (resid 2 through 18 )O2 - 18
146X-RAY DIFFRACTION146chain 'O' and (resid 19 through 30 )O19 - 30
147X-RAY DIFFRACTION147chain 'O' and (resid 31 through 48 )O31 - 48
148X-RAY DIFFRACTION148chain 'O' and (resid 49 through 74 )O49 - 74
149X-RAY DIFFRACTION149chain 'O' and (resid 75 through 112 )O75 - 112
150X-RAY DIFFRACTION150chain 'O' and (resid 113 through 125 )O113 - 125
151X-RAY DIFFRACTION151chain 'O' and (resid 126 through 168 )O126 - 168
152X-RAY DIFFRACTION152chain 'O' and (resid 169 through 181 )O169 - 181
153X-RAY DIFFRACTION153chain 'I' and (resid 3 through 27 )I3 - 27
154X-RAY DIFFRACTION154chain 'I' and (resid 28 through 60 )I28 - 60
155X-RAY DIFFRACTION155chain 'I' and (resid 61 through 81 )I61 - 81
156X-RAY DIFFRACTION156chain 'I' and (resid 82 through 111 )I82 - 111
157X-RAY DIFFRACTION157chain 'I' and (resid 112 through 129 )I112 - 129
158X-RAY DIFFRACTION158chain 'X' and (resid 1 through 9 )X1 - 9
159X-RAY DIFFRACTION159chain 'X' and (resid 10 through 21 )X10 - 21
160X-RAY DIFFRACTION160chain 'X' and (resid 22 through 29 )X22 - 29
161X-RAY DIFFRACTION161chain 'X' and (resid 30 through 46 )X30 - 46
162X-RAY DIFFRACTION162chain 'X' and (resid 47 through 59 )X47 - 59
163X-RAY DIFFRACTION163chain 'X' and (resid 60 through 83 )X60 - 83
164X-RAY DIFFRACTION164chain 'X' and (resid 84 through 93 )X84 - 93
165X-RAY DIFFRACTION165chain 'X' and (resid 94 through 106 )X94 - 106
166X-RAY DIFFRACTION166chain 'X' and (resid 107 through 127 )X107 - 127
167X-RAY DIFFRACTION167chain 'P' and (resid 2 through 58 )P2 - 58
168X-RAY DIFFRACTION168chain 'P' and (resid 59 through 83 )P59 - 83
169X-RAY DIFFRACTION169chain 'P' and (resid 84 through 112 )P84 - 112
170X-RAY DIFFRACTION170chain 'P' and (resid 113 through 117 )P113 - 117
171X-RAY DIFFRACTION171chain 'R' and (resid 1 through 24 )R1 - 24
172X-RAY DIFFRACTION172chain 'R' and (resid 25 through 62 )R25 - 62
173X-RAY DIFFRACTION173chain 'R' and (resid 63 through 73 )R63 - 73
174X-RAY DIFFRACTION174chain 'R' and (resid 74 through 87 )R74 - 87
175X-RAY DIFFRACTION175chain 'R' and (resid 88 through 108 )R88 - 108
176X-RAY DIFFRACTION176chain 'R' and (resid 109 through 123 )R109 - 123
177X-RAY DIFFRACTION177chain 'R' and (resid 124 through 160 )R124 - 160
178X-RAY DIFFRACTION178chain 'S' and (resid 1 through 23 )S1 - 23
179X-RAY DIFFRACTION179chain 'S' and (resid 24 through 76 )S24 - 76
180X-RAY DIFFRACTION180chain 'S' and (resid 77 through 86 )S77 - 86
181X-RAY DIFFRACTION181chain 'S' and (resid 87 through 95 )S87 - 95
182X-RAY DIFFRACTION182chain 'T' and (resid 1 through 70 )T1 - 70
183X-RAY DIFFRACTION183chain 'T' and (resid 71 through 290 )T71 - 290
184X-RAY DIFFRACTION184chain 'T' and (resid 291 through 425 )T291 - 425
185X-RAY DIFFRACTION185chain 'T' and (resid 426 through 455 )T426 - 455
186X-RAY DIFFRACTION186chain 'T' and (resid 456 through 488 )T456 - 488
187X-RAY DIFFRACTION187chain 'T' and (resid 489 through 542 )T489 - 542
188X-RAY DIFFRACTION188chain 'T' and (resid 543 through 605 )T543 - 605
189X-RAY DIFFRACTION189chain 'U' and (resid 1 through 95 )U1 - 95
190X-RAY DIFFRACTION190chain 'U' and (resid 96 through 304 )U96 - 304
191X-RAY DIFFRACTION191chain 'U' and (resid 305 through 414 )U305 - 414
192X-RAY DIFFRACTION192chain 'U' and (resid 415 through 467 )U415 - 467
193X-RAY DIFFRACTION193chain 'V' and (resid 1 through 42 )V1 - 42
194X-RAY DIFFRACTION194chain 'V' and (resid 43 through 75 )V43 - 75
195X-RAY DIFFRACTION195chain 'V' and (resid 76 through 127 )V76 - 127
196X-RAY DIFFRACTION196chain 'V' and (resid 128 through 225 )V128 - 225
197X-RAY DIFFRACTION197chain 'V' and (resid 226 through 357 )V226 - 357
198X-RAY DIFFRACTION198chain 'V' and (resid 358 through 427 )V358 - 427
199X-RAY DIFFRACTION199chain 'Q' and (resid 2 through 104 )Q2 - 104
200X-RAY DIFFRACTION200chain 'Q' and (resid 105 through 296 )Q105 - 296
201X-RAY DIFFRACTION201chain 'Q' and (resid 297 through 354 )Q297 - 354

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