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- PDB-5iwa: Crystal structure of the 30S ribosomal subunit from Thermus therm... -

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Basic information

Entry
Database: PDB / ID: 5iwa
TitleCrystal structure of the 30S ribosomal subunit from Thermus thermophilus in complex with the GE81112 peptide antibiotic
Components
  • (30S ribosomal protein ...) x 20
  • 16S ribosomal RNA
KeywordsTRANSLATION / protein synthesis / translation initiation / ribosome / antibiotic
Function / homology
Function and homology information


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
Similarity search - Function
S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N ...S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / Ribosomal Protein S8; Chain: A, domain 1 - #30 / Ribosomal protein S3 C-terminal domain / Ribosomal protein S6/Translation elongation factor EF1B / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / S15/NS1, RNA-binding / Helix hairpin bin / Ribosomal Protein S7 / Ribosomal protein S7/S5 / RNA-binding S4 domain / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / K homology (KH) domain / Helicase, Ruva Protein; domain 3 - #50 / Double Stranded RNA Binding Domain - #20 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S8; Chain: A, domain 1 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Ribosomal protein S14, type Z / Double Stranded RNA Binding Domain / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Ribosomal protein S12, bacterial-type / Translation elongation factor EF1B/ribosomal protein S6 / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Few Secondary Structures / Irregular / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / Ribosomal protein S19 signature. / Ribosomal protein S10 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / : / Ribosomal protein S2, conserved site / Ribosomal protein S7, conserved site / Ribosomal protein S7 signature.
Similarity search - Domain/homology
Chem-6EK / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 ...Chem-6EK / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
Similarity search - Component
Biological speciesThermus thermophilus HB8 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å
AuthorsSchedlbauer, A. / Kaminishi, T. / Ochoa-Lizarralde, B. / Chieko, N. / Masahito, K. / Takemoto, C. / Yokoyama, S. / Connell, S.R. / Fucini, P.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2016
Title: Inhibition of translation initiation complex formation by GE81112 unravels a 16S rRNA structural switch involved in P-site decoding.
Authors: Fabbretti, A. / Schedlbauer, A. / Brandi, L. / Kaminishi, T. / Giuliodori, A.M. / Garofalo, R. / Ochoa-Lizarralde, B. / Takemoto, C. / Yokoyama, S. / Connell, S.R. / Gualerzi, C.O. / Fucini, P.
History
DepositionMar 22, 2016Deposition site: RCSB / Processing site: PDBE
Revision 1.0Apr 27, 2016Provider: repository / Type: Initial release
Revision 1.1Apr 5, 2017Group: Structure summary
Revision 1.2Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14 type Z
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
V: 30S ribosomal protein Thx
A: 16S ribosomal RNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)769,657228
Polymers763,90921
Non-polymers5,748207
Water00
1


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area93840 Å2
ΔGint-792 kcal/mol
Surface area277680 Å2
MethodPISA
Unit cell
Length a, b, c (Å)413.140, 413.140, 173.630
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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Components

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30S ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTV

#1: Protein 30S ribosomal protein S2


Mass: 26159.344 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80371
#2: Protein 30S ribosomal protein S3


Mass: 22862.430 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80372
#3: Protein 30S ribosomal protein S4


Mass: 24242.254 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80373
#4: Protein 30S ribosomal protein S5


Mass: 17067.834 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHQ5
#5: Protein 30S ribosomal protein S6 / TS9


Mass: 11988.753 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SLP8
#6: Protein 30S ribosomal protein S7


Mass: 17919.775 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P17291
#7: Protein 30S ribosomal protein S8


Mass: 15868.570 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHQ2, UniProt: P0DOY9*PLUS
#8: Protein 30S ribosomal protein S9


Mass: 14279.419 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80374
#9: Protein 30S ribosomal protein S10


Mass: 11398.308 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHN7
#10: Protein 30S ribosomal protein S11


Mass: 12161.841 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80376
#11: Protein 30S ribosomal protein S12


Mass: 13804.311 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHN3
#12: Protein 30S ribosomal protein S13


Mass: 14207.666 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80377
#13: Protein 30S ribosomal protein S14 type Z


Mass: 7027.529 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHQ1, UniProt: P0DOY6*PLUS
#14: Protein 30S ribosomal protein S15


Mass: 10447.213 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SJ76
#15: Protein 30S ribosomal protein S16


Mass: 10152.740 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SJH3
#16: Protein 30S ribosomal protein S17


Mass: 12194.460 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS
#17: Protein 30S ribosomal protein S18


Mass: 8313.005 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SLQ0
#18: Protein 30S ribosomal protein S19


Mass: 9455.995 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SHP2
#19: Protein 30S ribosomal protein S20


Mass: 11405.740 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: P80380
#20: Protein/peptide 30S ribosomal protein Thx / S31


Mass: 2960.475 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: UniProt: Q5SIH3

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RNA chain , 1 types, 1 molecules A

#21: RNA chain 16S ribosomal RNA


Mass: 489991.125 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB8 (bacteria) / References: GenBank: 55771382

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Non-polymers , 3 types, 207 molecules

#22: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 204 / Source method: obtained synthetically / Formula: Mg
#23: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#24: Chemical ChemComp-6EK / (2S,3S)-2-{[(2S)-3-(2-amino-1H-imidazol-5-yl)-2-{[(2S,4S)-5-(carbamoyloxy)-4-hydroxy-2-({[(2S,3S)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1H-imidazol-5-yl)-3-hydroxypropanoic acid


Mass: 659.049 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C24H35ClN10O10

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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: 4.85 Å3/Da / Density % sol: 74.64 %
Crystal growTemperature: 292 K / Method: vapor diffusion, hanging drop
Details: HEPES-KOH, MgCl2, NH4Cl, beta-mercaptoethanol, MPD, spermidine

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Data collection

DiffractionMean temperature: 90 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Aug 16, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.5→160 Å / Num. obs: 187400 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 11.3 % / Rmerge(I) obs: 0.165 / Net I/σ(I): 9.79
Reflection shellResolution: 3.5→3.69 Å / Redundancy: 11.6 % / Rmerge(I) obs: 2.379 / Mean I/σ(I) obs: 1.46 / % possible all: 99.6

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Processing

Software
NameVersionClassification
PHENIX1.7.3_928refinement
XDSVERSION May 10, 2010data reduction
XSCALEVERSION May 10, 2010data scaling
PHENIXphasing
Cootmodel building
PDB_EXTRACT3.15data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2ZM6

2zm6


Resolution: 3.5→80.034 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 21.94
RfactorNum. reflection% reflection
Rfree0.2177 9368 5.01 %
Rwork0.1661 --
obs0.1687 187167 99.81 %
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Bsol: 76.191 Å2 / ksol: 0.249 e/Å3
Displacement parametersBiso max: 366.29 Å2 / Biso mean: 146.2449 Å2 / Biso min: 58.74 Å2
Baniso -1Baniso -2Baniso -3
1-9.1813 Å20 Å2-0 Å2
2--9.1813 Å2-0 Å2
3----18.3625 Å2
Refinement stepCycle: final / Resolution: 3.5→80.034 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19249 32435 251 0 51935
Biso mean--129.84 --
Num. residues----3907
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.02356478
X-RAY DIFFRACTIONf_angle_d1.17583245
X-RAY DIFFRACTIONf_chiral_restr0.0710441
X-RAY DIFFRACTIONf_plane_restr0.0064924
X-RAY DIFFRACTIONf_dihedral_angle_d15.74825986
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.5002-3.540.38443130.33525614592796
3.54-3.58160.3633200.299358306150100
3.5816-3.62530.34442890.284659376226100
3.6253-3.67120.3232910.271858956186100
3.6712-3.71950.32163320.258758146146100
3.7195-3.77050.27923050.238658946199100
3.7705-3.82430.27663030.230758656168100
3.8243-3.88140.26022990.221758806179100
3.8814-3.94210.28792990.215459296228100
3.9421-4.00670.26413090.202958726181100
4.0067-4.07580.24333440.188258646208100
4.0758-4.14990.22873000.180359176217100
4.1499-4.22970.22753600.171258416201100
4.2297-4.3160.19953170.158858736190100
4.316-4.40990.21612990.155459046203100
4.4099-4.51250.22572950.158959196214100
4.5125-4.62530.20323010.150359376238100
4.6253-4.75030.20593070.141759346241100
4.7503-4.89010.18982980.139759146212100
4.8901-5.04790.19613130.139759556268100
5.0479-5.22830.19423150.136259296244100
5.2283-5.43760.18433090.127759526261100
5.4376-5.6850.17043070.126259466253100
5.685-5.98460.18243200.123659816301100
5.9846-6.35940.21292950.135559676262100
6.3594-6.85020.20882920.14360166308100
6.8502-7.53910.20773310.14660096340100
7.5391-8.62890.19783130.144960536366100
8.6289-10.86720.19823370.150460846421100
10.8672-80.05510.21693550.19076274662999
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)
11.3134-0.75040.38093.86611.71343.5056-0.12950.213-0.0617-0.01880.15790.27430.1596-0.4484-00.7939-0.16590.05241.00840.02640.8603271.539128.314912.916
20.49510.0239-1.1545-0.13150.4492.7820.1146-0.2281-0.08280.72520.0327-0.04650.52420.0536-0.00011.6349-0.04080.190.9426-0.01721.0664282.9564167.228457.0719
31.8825-1.8258-0.29671.7477-0.85233.56380.1179-0.09880.06980.1975-0.26810.0608-0.02410.02560.00010.7076-0.3771-0.06640.8075-0.01610.5965326.0079120.528762.0462
4-0.5466-0.3158-0.481.52490.00390.56230.09420.05240.0734-0.2306-0.02850.3663-0.3701-0.5818-0.00010.8928-0.09610.00450.822-0.06260.8853305.4554127.461329.9277
51.8231-0.29341.10384.1020.77622.99270.26610.7911-0.0187-0.8502-0.2454-0.4201-0.42920.28880.00021.56180.08430.25481.01950.0670.7538306.6628146.8957-58.1966
62.3648-0.4027-1.59360.7860.94241.31780.07220.7294-0.3958-0.3753-0.0885-0.0947-0.0172-0.0944-01.22390.2738-0.02221.18670.24030.9418270.6871200.9196-2.8648
74.3951-2.1036-1.45122.82960.32560.43850.07610.43490.0718-0.0937-0.1185-0.0835-0.0295-0.3738-00.7275-0.1760.00080.5324-0.02480.6063311.6284107.54596.364
80.55420.4432-0.36091.77750.5890.7609-0.0153-0.30730.1415-0.2248-0.1270.316-0.1422-0.2131-00.990.2540.20441.09440.0721.329251.0269195.673921.9768
91.2390.12881.09830.7388-0.46750.91890.35131.5159-1.0590.6134-0.2597-0.1886-0.256-0.84450.13051.20480.110.59431.13980.08481.2325258.3785184.745755.3977
102.2113-0.2136-0.62980.8124-1.07280.6261-0.3193-0.4043-0.15950.34850.50190.1596-0.299-0.2546-0.00021.89460.3986-0.06241.2171-0.01071.1201294.008183.2046-35.7741
110.8990.61010.43351.7302-0.09330.1110.09810.19370.25430.2392-0.0335-0.474-0.39420.19770.00161.0748-0.257-0.03390.8463-0.11160.9964344.5996153.335534.0489
121.0802-0.72261.82381.0735-0.51552.1842-0.0831-0.0943-0.26840.4884-0.03130.0703-0.01640.28690.0011.42170.10110.33470.70160.05921.5945288.5279233.306428.7729
130.4911.1446-0.54060.9251-0.72960.4254-0.0220.32360.45680.8840.58670.71190.27740.36670.00021.35990.08030.16521.1776-0.15361.4821285.7148190.590355.2908
141.98270.7217-1.31231.156-0.09312.90320.04690.4022-0.30520.15220.5897-0.62940.04380.3327-0.00011.35020.07770.01721.2187-0.19190.9891328.7978120.0475-34.5876
150.3648-0.6852-0.70880.58240.64630.54590.3075-0.2466-0.09430.2715-0.0196-0.038-0.3387-0.04-0.00010.9737-0.1547-0.15741.23010.15651.2748364.268796.45542.3501
160.263-0.068-0.52112.00452.07862.1490.057-0.0146-0.13730.0195-0.07130.072-0.07330.2776-01.15320.2614-0.03291.23320.04350.9305352.4707111.0648-8.9717
170.06470.1174-0.33620.5604-0.0352-0.00010.14790.2103-0.746-0.66790.22430.52940.6968-0.43790.0061.55520.00260.18641.2350.0541.0778292.7359150.2245-39.576
181.0315-0.81680.24330.46620.4211.07550.17760.44590.5338-0.16140.0232-0.2277-0.47780.5223-01.9374-0.11020.20871.2449-0.38732.0841303.9649226.348257.6946
190.21510.75730.68580.87411.27060.399-0.2078-0.39260.2155-0.139-0.25090.1155-0.40220.739-0.00621.15990.0584-0.05781.9696-0.0871.5379396.153102.1525.5872
200.1922-0.09420.11830.2327-0.0050.0317-0.40990.2257-0.2631.16130.5542-1.05880.4552-0.81610.00011.75230.02020.52741.3126-0.071.8568273.5352219.154734.6595
211.7119-0.32861.7033-0.28150.67561.9108-0.38870.330.02230.6613-0.15670.1266-0.62710.2303-0.00051.001-0.12010.22231.06750.04541.1853319.9845137.424323.9728
220.09250.17810.03370.39430.24020.48010.0709-0.12290.24430.2592-0.1731-0.2374-0.25060.051601.228-0.3487-0.11521.23860.0041.0638345.7644133.906856.0877
230.31110.0614-0.170.13550.22870.20340.64870.41330.1214-0.9274-0.2009-0.3691-0.7943-0.2053-0.00031.3750.015-0.06971.1656-0.14281.1461327.4896160.791439.6041
24-0.1052-0.06630.18770.8434-0.57370.24910.3830.7688-0.51560.0741-0.7640.1832-0.79530.4264-0.0011.0441-0.3231-0.12721.25340.0671.558376.9042133.753238.0325
25-0.0615-0.0008-0.0007-0.05210.0079-0.0554-0.1824-0.4227-0.33230.3338-0.4816-0.20950.1638-0.30580.00011.02150.0088-0.28591.66470.34471.8435395.9626106.624736.82
26-0.0994-0.1383-0.01841.9665-0.99450.2211-1.36720.9411-0.11150.0870.65510.3836-0.419-0.0932-0.00021.1785-0.1253-0.13581.760.45551.792417.6658105.349852.1929
27-0.1756-1.0185-0.5492-0.3295-1.69170.82810.07030.13370.09450.5027-0.310.2858-0.25850.40160.00011.2292-0.1219-0.07851.36010.10811.6375359.4269115.88069.1013
280.643-1.4699-0.33131.92950.28610.1810.29570.0068-0.35530.0956-0.5037-0.3276-0.18870.08460.00021.16170.1434-0.17451.71150.52831.9498394.620789.511727.7957
290.1872-0.02890.33030.0637-0.35881.69950.3408-1.3429-0.00490.0764-0.6350.4893-0.49032.50880.00631.1026-0.2519-0.03692.02510.32032.6443412.7621121.700529.4482
300.75830.6803-0.65420.55270.05841.1789-0.41520.0988-1.02380.16040.1148-0.3779-0.48470.67930.00021.4110.3468-0.00331.49390.00721.7719384.785284.56653.4007
312.05380.45230.8210.151.00411.42150.15060.1217-0.2891-0.2534-0.0047-0.1352-0.17830.203100.9365-0.01380.15981.2880.16461.3561371.4633116.442-7.2528
32-0.1328-0.162-0.422-0.63910.2735-0.0031-0.4656-0.07970.07760.31440.1641-0.2195-0.07140.185401.1591-0.1722-0.04341.310.09841.2775356.9175121.145926.4207
330.12810.0909-0.2739-0.016-0.1460.17050.3177-0.4805-0.2173-0.6819-0.19410.52530.41890.07690.00010.999-0.0945-0.12131.68480.30361.785384.7264121.987419.5819
341.2159-0.2747-0.16560.12980.05690.07070.15160.69730.1834-2.2306-0.4135-1.2021-0.3819-0.3694-0.10171.0154-0.3582-0.01271.59680.5162.1844394.541141.010827.0022
350.1584-0.3042-0.1822-0.00130.16560.151-0.1322-0.1861-0.39021.1816-0.0259-0.04170.77420.3927-0.00021.4908-0.2675-0.22451.40550.12961.4366380.467106.890145.2989
360.061-0.3350.15510.1727-0.24710.19430.09810.78910.29121.129-0.11130.0833-0.627-0.32710.00011.6566-0.08110.06591.4793-0.29321.1881318.5877150.247371.2445
37-0.34340.01650.06460.5107-0.49340.2344-0.19710.2275-0.56140.4871-0.1971-0.42780.21430.2748-0.00040.893-0-0.07131.45670.20751.6255377.811188.989955.4299
380.9817-1.27881.00011.0877-0.96780.52940.9828-0.2279-0.0623-0.05540.4297-0.5009-0.0402-0.6418-0.00161.1279-0.1235-0.05341.36010.18841.4488345.4398106.762645.0364
391.3815-0.71350.75140.68850.5032-0.57610.22940.2297-0.2859-0.1374-0.0886-0.2879-0.1380.18230.00011.14020.01840.12840.9152-0.04461.0204333.9718111.3883-3.9853
400.5408-0.2497-0.2822-0.3548-0.65750.250.4910.2517-0.0162-0.3445-0.3610.79330.1539-0.04280.00011.4609-0.01220.04841.2176-0.05861.2062314.2659128.1146-33.1051
41-0.08280.136-0.19480.0103-0.10950.06490.3293-0.58990.4844-0.3054-0.3540.2029-0.54480.6123-0.00032.09520.29730.12961.4660.19571.7655309.4103190.6649-27.7049
420.324-1.38990.65490.6713-0.72370.10220.42670.1315-0.155-0.265-0.40.14110.19090.30410.00011.6580.05890.07861.16650.18431.1226310.073164.8497-36.8036
430.7913-2.26770.08170.30740.55312.00670.05140.11180.11620.0621-0.1867-0.3878-0.6505-0.12090.00031.9104-0.13070.23141.33650.19231.3626325.6483173.3247-21.6151
44-0.0476-0.40120.122-0.29890.04150.72880.20910.02690.3703-0.13480.1372-0.4198-0.15760.5722-0.00051.4379-0.09480.15931.32540.0851.3109339.7182152.27151.5853
45-0.9016-0.3206-0.7030.0587-0.2766-1.31420.0381-0.1084-0.0643-0.13310.0728-0.0816-0.1865-0.31140.00031.1778-0.12470.02131.2144-0.01980.9304312.2985132.6546-3.6501
460.317-0.1276-0.27460.31331.4485-0.64870.51410.4237-0.263-0.1992-0.59650.07830.0652-0.07360.00051.47440.14280.18051.31210.22541.218291.8226177.092511.1483
472.0585-0.4023-0.64481.15270.24120.2691-0.3571.2006-0.5059-0.17060.4598-0.4335-0.6162-0.2222-0.00291.1960.04470.24380.8108-0.04071.4353297.9967207.501230.2746
480.03551.06520.0551.4658-0.58120.8424-0.15760.63780.45320.16630.621-0.0898-0.24330.33040.00031.24590.08860.27561.1676-0.07461.3315299.4759198.365241.8491
490.0404-0.3485-0.25790.33440.25880.1103-0.26190.4659-0.16450.8640.2614-0.4259-0.31840.3435-01.95110.2111-0.29971.4765-0.25252.2495309.3759203.205761.9529
501.0154-0.14540.67050.16880.08280.32740.5124-0.65840.1640.01540.018-0.19680.6107-1.1203-0.00022.2030.0914-0.17621.6868-0.24841.5221306.2039188.127481.548
510.93590.5675-0.00840.2255-0.063-0.0952-0.2677-0.61931.108-0.61650.2307-0.1815-0.38480.1993-0.00042.07380.1526-0.06661.5393-0.4271.3466300.2466209.474882.3838
520.1620.06510.34310.7179-0.08510.23621.40180.2646-0.0468-0.2521-0.27120.51840.9615-0.8332-0.00032.5041-0.3249-0.02971.54970.10281.8171293.0574187.3285102.7328
530.6071-0.5839-0.29341.666-0.45650.4026-0.0082-0.4356-0.42660.10660.5731-0.6168-0.4727-0.37550.00011.02330.18240.10340.8021-0.02731.0492298.9194178.015543.7066
540.47250.56850.52770.4160.31870.05790.35330.44090.16050.6116-0.1970.1276-0.0713-0.20840.00071.1578-0.0030.17540.9597-0.08161.0294280.9122155.135127.6578
550.9531-1.34090.33350.418-0.4358-0.1152-0.17030.87480.04930.68110.0772-0.0012-0.67860.34050.00031.24360.07250.04850.84930.05741.1655284.3316151.773116.5847
56-0.7058-0.0108-0.24460.3881.14981.29440.20560.6621-0.32820.4097-0.50690.01420.6068-0.6713-0.00011.16710.04760.39781.63270.09531.5882248.1659188.723337.6529
571.1242-0.2469-0.22930.2768-0.2420.23730.0691-0.01060.26770.627-0.3370.01341.0474-1.072801.47330.1204-0.15371.58350.11631.6585257.1912166.31429.5577
581.31-0.1226-0.76650.78720.38820.37110.164-0.22760.1974-0.0150.17260.5420.13970.0466-0.00031.72080.39260.41941.4780.05761.6882264.3656214.355339.734
591.3676-0.8876-0.78752.413-1.60141.42220.2010.18540.56770.13990.3247-0.4772-0.30610.1006-0.00011.41370.1490.34480.9711-0.15891.5567286.5494222.222832.4324
600.50490.4511-0.72251.9443-0.36610.5990.34560.12560.10920.2508-0.11190.3985-0.3374-0.0120.00011.30020.28870.27581.2027-0.00051.2575276.0433196.859926.3767
610.387-0.11141.0517-1.00020.23472.7377-0.00170.27420.13190.17510.05750.1875-0.4802-0.0258-0.00051.3855-0.23730.04030.78670.03381.2861332.1535169.150211.4614
62-0.03330.1399-0.15180.1988-0.8361.65890.03240.3170.555-0.4961-0.18810.91540.00340.4895-0.00021.5774-0.1605-0.24511.72210.41742.1544375.4149145.33542.4759
630.66660.97691.28670.88311.74672.3779-0.50021.40760.03960.93350.2232-0.5245-0.00040.2908-0.00021.281-0.15370.03062.05180.14041.5611404.2628117.01683.6386
64-0.23640.7184-0.17641.507-0.2046-0.0842-0.3250.3127-0.2092-0.02610.29730.2352-0.5148-0.3281-0.00011.4043-0.12190.13271.20550.05781.0505322.4879166.2595-7.257
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain BB3 - 228
2X-RAY DIFFRACTION2chain CC2 - 207
3X-RAY DIFFRACTION3chain DD2 - 209
4X-RAY DIFFRACTION4chain EE5 - 161
5X-RAY DIFFRACTION5chain FF1 - 101
6X-RAY DIFFRACTION6chain GG2 - 156
7X-RAY DIFFRACTION7chain HH1 - 138
8X-RAY DIFFRACTION8chain II2 - 128
9X-RAY DIFFRACTION9chain JJ3 - 101
10X-RAY DIFFRACTION10chain KK11 - 125
11X-RAY DIFFRACTION11chain LL5 - 128
12X-RAY DIFFRACTION12chain MM2 - 126
13X-RAY DIFFRACTION13chain NN2 - 61
14X-RAY DIFFRACTION14chain OO2 - 89
15X-RAY DIFFRACTION15chain PP1 - 85
16X-RAY DIFFRACTION16chain QQ2 - 105
17X-RAY DIFFRACTION17chain RR18 - 88
18X-RAY DIFFRACTION18chain SS2 - 84
19X-RAY DIFFRACTION19chain TT4 - 106
20X-RAY DIFFRACTION20chain VV2 - 25
21X-RAY DIFFRACTION21chain A and ( resid 1:25 or resid 916:920 )A1 - 25
22X-RAY DIFFRACTION21chain A and ( resid 1:25 or resid 916:920 )A916 - 920
23X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A26 - 50
24X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A361 - 372
25X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A390 - 411
26X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A431 - 451
27X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A482 - 518
28X-RAY DIFFRACTION22chain A and ( resid 26:50 or resid 361:372 or resid 390:411 or resid 431:451 or resid 482:518 or resid 533:556 )A533 - 556
29X-RAY DIFFRACTION23chain A and ( resid 519:532 )A519 - 532
30X-RAY DIFFRACTION24chain A and ( resid 51:59 or resid 352:360 )A51 - 59
31X-RAY DIFFRACTION24chain A and ( resid 51:59 or resid 352:360 )A352 - 360
32X-RAY DIFFRACTION25chain A and ( resid 60:68 or resid 101:107 )A60 - 68
33X-RAY DIFFRACTION25chain A and ( resid 60:68 or resid 101:107 )A101 - 107
34X-RAY DIFFRACTION26chain A and ( resid 69:99 )A69 - 99
35X-RAY DIFFRACTION27chain A and ( resid 119:133 or resid 229:245 or resid 280:287 or resid 2130 )A119 - 133
36X-RAY DIFFRACTION27chain A and ( resid 119:133 or resid 229:245 or resid 280:287 or resid 2130 )A229 - 245
37X-RAY DIFFRACTION27chain A and ( resid 119:133 or resid 229:245 or resid 280:287 or resid 2130 )A280 - 287
38X-RAY DIFFRACTION27chain A and ( resid 119:133 or resid 229:245 or resid 280:287 or resid 2130 )A2130
39X-RAY DIFFRACTION28chain A and ( resid 134:150 or resid 172:179 or resid 197:228 )A134 - 150
40X-RAY DIFFRACTION28chain A and ( resid 134:150 or resid 172:179 or resid 197:228 )A172 - 179
41X-RAY DIFFRACTION28chain A and ( resid 134:150 or resid 172:179 or resid 197:228 )A197 - 228
42X-RAY DIFFRACTION29chain A and ( resid 151:171 )A151 - 171
43X-RAY DIFFRACTION30chain A and ( resid 180:196 or resid 2191:2202 )A180 - 196
44X-RAY DIFFRACTION30chain A and ( resid 180:196 or resid 2191:2202 )A2191 - 2202
45X-RAY DIFFRACTION31chain A and ( resid 246:279 )A246 - 279
46X-RAY DIFFRACTION32chain A and ( resid 108:118 or resid 288:314 )A108 - 118
47X-RAY DIFFRACTION32chain A and ( resid 108:118 or resid 288:314 )A288 - 314
48X-RAY DIFFRACTION33chain A and ( resid 315:337 )A315 - 337
49X-RAY DIFFRACTION34chain A and ( resid 338:351 )A338 - 351
50X-RAY DIFFRACTION35chain A and ( resid 373:389 )A373 - 389
51X-RAY DIFFRACTION36chain A and ( resid 412:430 )A412 - 430
52X-RAY DIFFRACTION37chain A and ( resid 452:481 )A452 - 481
53X-RAY DIFFRACTION38chain A and ( resid 609:630 )A609 - 630
54X-RAY DIFFRACTION39chain A and ( resid 576:608 or resid 631:651 or resid 754:768 )A576 - 608
55X-RAY DIFFRACTION39chain A and ( resid 576:608 or resid 631:651 or resid 754:768 )A631 - 651
56X-RAY DIFFRACTION39chain A and ( resid 576:608 or resid 631:651 or resid 754:768 )A754 - 768
57X-RAY DIFFRACTION40chain A and ( resid 652:672 or resid 734:753 )A652 - 672
58X-RAY DIFFRACTION40chain A and ( resid 652:672 or resid 734:753 )A734 - 753
59X-RAY DIFFRACTION41chain A and ( resid 686:702 )A686 - 702
60X-RAY DIFFRACTION42chain A and ( resid 673:685 or resid 703:733 )A673 - 685
61X-RAY DIFFRACTION42chain A and ( resid 673:685 or resid 703:733 )A703 - 733
62X-RAY DIFFRACTION43chain A and ( resid 769:810 )A769 - 810
63X-RAY DIFFRACTION44chain A and ( resid 886:915 )A886 - 915
64X-RAY DIFFRACTION45chain A and ( resid 557:575 or resid 811:885 )A557 - 575
65X-RAY DIFFRACTION45chain A and ( resid 557:575 or resid 811:885 )A811 - 885
66X-RAY DIFFRACTION46chain A and ( resid 921:944 or resid 1340:1345 or resid 1384:1396 )A921 - 944
67X-RAY DIFFRACTION46chain A and ( resid 921:944 or resid 1340:1345 or resid 1384:1396 )A1340 - 1345
68X-RAY DIFFRACTION46chain A and ( resid 921:944 or resid 1340:1345 or resid 1384:1396 )A1384 - 1396
69X-RAY DIFFRACTION47chain A and ( resid 945:955 or resid 1222:1236 )A945 - 955
70X-RAY DIFFRACTION47chain A and ( resid 945:955 or resid 1222:1236 )A1222 - 1236
71X-RAY DIFFRACTION48chain A and ( resid 956:983 )A956 - 983
72X-RAY DIFFRACTION49chain A and ( resid 984:990 or resid 1212:1221 )A984 - 990
73X-RAY DIFFRACTION49chain A and ( resid 984:990 or resid 1212:1221 )A1212 - 1221
74X-RAY DIFFRACTION50chain A and ( resid 991:1003 or resid 1037:1045 or resid 3004 )A991 - 1003
75X-RAY DIFFRACTION50chain A and ( resid 991:1003 or resid 1037:1045 or resid 3004 )A1037 - 1045
76X-RAY DIFFRACTION50chain A and ( resid 991:1003 or resid 1037:1045 or resid 3004 )A3004
77X-RAY DIFFRACTION51chain A and ( resid 1004:1023 )A0
78X-RAY DIFFRACTION52chain A and ( resid 1024:1036 or resid 3031:3034 )A1024 - 1036
79X-RAY DIFFRACTION52chain A and ( resid 1024:1036 or resid 3031:3034 )A3031 - 3034
80X-RAY DIFFRACTION53chain A and ( resid 1046:1067 or resid 1188:1211 )A1046 - 1067
81X-RAY DIFFRACTION53chain A and ( resid 1046:1067 or resid 1188:1211 )A1188 - 1211
82X-RAY DIFFRACTION54chain A and ( resid 1068:1073 or resid 1101:1112 )A1068 - 1073
83X-RAY DIFFRACTION54chain A and ( resid 1068:1073 or resid 1101:1112 )A1101 - 1112
84X-RAY DIFFRACTION55chain A and ( resid 1074:1100 )A0
85X-RAY DIFFRACTION56chain A and ( resid 1113:1158 or resid 1180:1187 )A1113 - 1158
86X-RAY DIFFRACTION56chain A and ( resid 1113:1158 or resid 1180:1187 )A1180 - 1187
87X-RAY DIFFRACTION57chain A and ( resid 1159:1179 )A0
88X-RAY DIFFRACTION58chain A and ( resid 1237:1296 )A0
89X-RAY DIFFRACTION59chain A and ( resid 1297:1339 )A0
90X-RAY DIFFRACTION60chain A and ( resid 1346:1383 or resid 3362 )A1346 - 1383
91X-RAY DIFFRACTION60chain A and ( resid 1346:1383 or resid 3362 )A3362
92X-RAY DIFFRACTION61chain A and ( resid 1397:1418 or resid 1482:1505 )A1397 - 1418
93X-RAY DIFFRACTION61chain A and ( resid 1397:1418 or resid 1482:1505 )A1482 - 1505
94X-RAY DIFFRACTION62chain A and ( resid 1419:1432 or resid 1468:1481 )A1419 - 1432
95X-RAY DIFFRACTION62chain A and ( resid 1419:1432 or resid 1468:1481 )A1468 - 1481
96X-RAY DIFFRACTION63chain A and ( resid 1433:1467 )A0
97X-RAY DIFFRACTION64chain A and ( resid 1506:1534 )A0

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