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- PDB-7npi: Crystal structure of Mindy2 (C266A) in complex with Lys48-linked ... -

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Basic information

Entry
Database: PDB / ID: 7npi
TitleCrystal structure of Mindy2 (C266A) in complex with Lys48-linked penta-ubiquitin (K48-Ub5)
Components
  • Polyubiquitin-C
  • Ubiquitin carboxyl-terminal hydrolase MINDY-2
KeywordsSIGNALING PROTEIN / Ubiquitin / Branched / Heterotypic / Nanobody / Synthetic nanobody
Function / homology
Function and homology information


K11-linked polyubiquitin modification-dependent protein binding / K6-linked polyubiquitin modification-dependent protein binding / cysteine-type carboxypeptidase activity / K48-linked deubiquitinase activity / K48-linked polyubiquitin modification-dependent protein binding / K63-linked polyubiquitin modification-dependent protein binding / Regulation of pyruvate metabolism / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / Maturation of protein E ...K11-linked polyubiquitin modification-dependent protein binding / K6-linked polyubiquitin modification-dependent protein binding / cysteine-type carboxypeptidase activity / K48-linked deubiquitinase activity / K48-linked polyubiquitin modification-dependent protein binding / K63-linked polyubiquitin modification-dependent protein binding / Regulation of pyruvate metabolism / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Negative regulation of FLT3 / Constitutive Signaling by NOTCH1 HD Domain Mutants / Regulation of FZD by ubiquitination / TICAM1,TRAF6-dependent induction of TAK1 complex / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / p75NTR recruits signalling complexes / Downregulation of ERBB4 signaling / APC-Cdc20 mediated degradation of Nek2A / PINK1-PRKN Mediated Mitophagy / TRAF6-mediated induction of TAK1 complex within TLR4 complex / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / Pexophagy / Regulation of innate immune responses to cytosolic DNA / InlA-mediated entry of Listeria monocytogenes into host cells / VLDLR internalisation and degradation / Downregulation of ERBB2:ERBB3 signaling / NF-kB is activated and signals survival / NRIF signals cell death from the nucleus / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Translesion synthesis by REV1 / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / Translesion synthesis by POLK / MAP3K8 (TPL2)-dependent MAPK1/3 activation / TICAM1, RIP1-mediated IKK complex recruitment / Downregulation of TGF-beta receptor signaling / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLI / Gap-filling DNA repair synthesis and ligation in GG-NER / Josephin domain DUBs / Regulation of activated PAK-2p34 by proteasome mediated degradation / InlB-mediated entry of Listeria monocytogenes into host cell / IKK complex recruitment mediated by RIP1 / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Autodegradation of Cdh1 by Cdh1:APC/C / TNFR1-induced NF-kappa-B signaling pathway / APC/C:Cdc20 mediated degradation of Securin / Asymmetric localization of PCP proteins / TCF dependent signaling in response to WNT / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / Ubiquitin-dependent degradation of Cyclin D / Regulation of NF-kappa B signaling / AUF1 (hnRNP D0) binds and destabilizes mRNA / TNFR2 non-canonical NF-kB pathway / activated TAK1 mediates p38 MAPK activation / Assembly of the pre-replicative complex / Vpu mediated degradation of CD4 / NOTCH3 Activation and Transmission of Signal to the Nucleus / Negative regulators of DDX58/IFIH1 signaling / Deactivation of the beta-catenin transactivating complex / Degradation of DVL / Ubiquitin Mediated Degradation of Phosphorylated Cdc25A / Regulation of signaling by CBL / Dectin-1 mediated noncanonical NF-kB signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Fanconi Anemia Pathway / Hh mutants are degraded by ERAD / Recognition of DNA damage by PCNA-containing replication complex / Negative regulation of FGFR3 signaling / Peroxisomal protein import / Degradation of AXIN / Degradation of GLI1 by the proteasome / Activation of NF-kappaB in B cells / Regulation of TNFR1 signaling / Termination of translesion DNA synthesis / Negative regulation of FGFR2 signaling / Downregulation of SMAD2/3:SMAD4 transcriptional activity / Hedgehog ligand biogenesis / Defective CFTR causes cystic fibrosis / Stabilization of p53
Similarity search - Function
MINDY deubiquitinase / MINDY deubiquitinase domain / MINDY deubiquitinase / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. ...MINDY deubiquitinase / MINDY deubiquitinase domain / MINDY deubiquitinase / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily
Similarity search - Domain/homology
Polyubiquitin-C / Ubiquitin carboxyl-terminal hydrolase MINDY-2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.81 Å
AuthorsLange, S.M. / Armstrong, L.A. / Kulathu, Y.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MC_UU_00018/3 United Kingdom
European Molecular Biology Organization (EMBO)Young Investigator Programme United Kingdom
CitationJournal: Mol.Cell / Year: 2021
Title: Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Authors: Abdul Rehman, S.A. / Armstrong, L.A. / Lange, S.M. / Kristariyanto, Y.A. / Grawert, T.W. / Knebel, A. / Svergun, D.I. / Kulathu, Y.
History
DepositionFeb 26, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 15, 2021Provider: repository / Type: Initial release
Revision 1.1Sep 29, 2021Group: Data collection / Database references / Category: citation / pdbx_database_proc
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 13, 2021Group: Data collection
Category: database_PDB_rev / database_PDB_rev_record / pdbx_database_proc
Revision 1.3Nov 3, 2021Group: Data collection / Database references
Category: citation / database_PDB_rev ...citation / database_PDB_rev / database_PDB_rev_record / pdbx_database_proc
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.4Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ubiquitin carboxyl-terminal hydrolase MINDY-2
B: Polyubiquitin-C
C: Polyubiquitin-C
D: Polyubiquitin-C
E: Polyubiquitin-C
F: Polyubiquitin-C
G: Ubiquitin carboxyl-terminal hydrolase MINDY-2
H: Polyubiquitin-C
I: Polyubiquitin-C
J: Polyubiquitin-C
K: Polyubiquitin-C
L: Polyubiquitin-C
M: Ubiquitin carboxyl-terminal hydrolase MINDY-2
N: Polyubiquitin-C
O: Polyubiquitin-C
P: Polyubiquitin-C
Q: Polyubiquitin-C
R: Polyubiquitin-C
S: Ubiquitin carboxyl-terminal hydrolase MINDY-2
T: Polyubiquitin-C
U: Polyubiquitin-C
V: Polyubiquitin-C
W: Polyubiquitin-C
X: Polyubiquitin-C
Y: Ubiquitin carboxyl-terminal hydrolase MINDY-2
Z: Polyubiquitin-C
a: Polyubiquitin-C
b: Polyubiquitin-C
c: Polyubiquitin-C
d: Polyubiquitin-C
e: Ubiquitin carboxyl-terminal hydrolase MINDY-2
f: Polyubiquitin-C
g: Polyubiquitin-C
h: Polyubiquitin-C
i: Polyubiquitin-C
j: Polyubiquitin-C
k: Ubiquitin carboxyl-terminal hydrolase MINDY-2
l: Polyubiquitin-C
m: Polyubiquitin-C
n: Polyubiquitin-C
o: Polyubiquitin-C
p: Polyubiquitin-C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)518,48546
Polymers518,36842
Non-polymers1174
Water28816
1
A: Ubiquitin carboxyl-terminal hydrolase MINDY-2
B: Polyubiquitin-C
C: Polyubiquitin-C
D: Polyubiquitin-C
E: Polyubiquitin-C
F: Polyubiquitin-C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,1469
Polymers74,0536
Non-polymers943
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
G: Ubiquitin carboxyl-terminal hydrolase MINDY-2
H: Polyubiquitin-C
I: Polyubiquitin-C
J: Polyubiquitin-C
K: Polyubiquitin-C
L: Polyubiquitin-C


Theoretical massNumber of molelcules
Total (without water)74,0536
Polymers74,0536
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
M: Ubiquitin carboxyl-terminal hydrolase MINDY-2
N: Polyubiquitin-C
O: Polyubiquitin-C
P: Polyubiquitin-C
Q: Polyubiquitin-C
R: Polyubiquitin-C


Theoretical massNumber of molelcules
Total (without water)74,0536
Polymers74,0536
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
S: Ubiquitin carboxyl-terminal hydrolase MINDY-2
T: Polyubiquitin-C
U: Polyubiquitin-C
V: Polyubiquitin-C
W: Polyubiquitin-C
X: Polyubiquitin-C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,0767
Polymers74,0536
Non-polymers231
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
Y: Ubiquitin carboxyl-terminal hydrolase MINDY-2
Z: Polyubiquitin-C
a: Polyubiquitin-C
b: Polyubiquitin-C
c: Polyubiquitin-C
d: Polyubiquitin-C


Theoretical massNumber of molelcules
Total (without water)74,0536
Polymers74,0536
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
e: Ubiquitin carboxyl-terminal hydrolase MINDY-2
f: Polyubiquitin-C
g: Polyubiquitin-C
h: Polyubiquitin-C
i: Polyubiquitin-C
j: Polyubiquitin-C


Theoretical massNumber of molelcules
Total (without water)74,0536
Polymers74,0536
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
k: Ubiquitin carboxyl-terminal hydrolase MINDY-2
l: Polyubiquitin-C
m: Polyubiquitin-C
n: Polyubiquitin-C
o: Polyubiquitin-C
p: Polyubiquitin-C


Theoretical massNumber of molelcules
Total (without water)74,0536
Polymers74,0536
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)162.061, 203.071, 265.035
Angle α, β, γ (deg.)90.000, 107.140, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

#1: Protein
Ubiquitin carboxyl-terminal hydrolase MINDY-2 / Deubiquitinating enzyme MINDY-2 / Protein FAM63B


Mass: 31168.389 Da / Num. of mol.: 7 / Mutation: C266A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MINDY2, FAM63B, KIAA1164 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q8NBR6, ubiquitinyl hydrolase 1
#2: Protein ...
Polyubiquitin-C


Mass: 8576.831 Da / Num. of mol.: 35
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P0CG48
#3: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#4: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 16 / Source method: isolated from a natural source / Formula: H2O
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: 4.02 Å3/Da / Density % sol: 69.4 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop
Details: 3% w/v Dextran sulphate sodium salt 0.1 M BICINE pH 8.5 15% w/v PEG 20,000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-1 / Wavelength: 0.965459 Å
DetectorType: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Nov 25, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.965459 Å / Relative weight: 1
ReflectionResolution: 2.805→126.63 Å / Num. obs: 88232 / % possible obs: 87.8 % / Redundancy: 2.3 % / Biso Wilson estimate: 51.37 Å2 / CC1/2: 0.995 / Net I/σ(I): 6.2
Reflection shellResolution: 2.805→3.223 Å / Num. unique obs: 4412 / CC1/2: 0.741

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Processing

Software
NameVersionClassification
PHENIX1.19rc7_4070refinement
XDSdata reduction
Aimlessdata scaling
BALBESphasing
autoPROCdata processing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6Z7V
Resolution: 2.81→126.63 Å / SU ML: 0.3824 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 30.6012
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2877 4457 5.05 %
Rwork0.2284 83735 -
obs0.2314 88192 44.16 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 68.21 Å2
Refinement stepCycle: LAST / Resolution: 2.81→126.63 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms33747 0 4 16 33767
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003134274
X-RAY DIFFRACTIONf_angle_d0.566746561
X-RAY DIFFRACTIONf_chiral_restr0.04295535
X-RAY DIFFRACTIONf_plane_restr0.00486058
X-RAY DIFFRACTIONf_dihedral_angle_d4.62244651
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.81-2.840.847220.740714X-RAY DIFFRACTION0.25
2.84-2.870.539450.439248X-RAY DIFFRACTION0.85
2.87-2.910.512530.4191144X-RAY DIFFRACTION2.27
2.91-2.940.5547150.3867212X-RAY DIFFRACTION3.44
2.94-2.980.5351150.4493317X-RAY DIFFRACTION5.07
2.98-3.020.4333220.3789397X-RAY DIFFRACTION6.29
3.02-3.070.4824260.3377576X-RAY DIFFRACTION9.14
3.07-3.110.412380.3414631X-RAY DIFFRACTION10.14
3.11-3.160.4733480.3397739X-RAY DIFFRACTION11.82
3.16-3.210.4355510.3652881X-RAY DIFFRACTION14.08
3.21-3.270.393590.33211008X-RAY DIFFRACTION16.1
3.27-3.330.4229670.34171184X-RAY DIFFRACTION18.65
3.33-3.390.3772690.32261333X-RAY DIFFRACTION21.24
3.39-3.460.3827830.3011559X-RAY DIFFRACTION24.78
3.46-3.530.321010.29261735X-RAY DIFFRACTION27.75
3.53-3.620.35281220.28511984X-RAY DIFFRACTION31.5
3.62-3.710.3041260.272287X-RAY DIFFRACTION36.13
3.71-3.810.32951500.25382682X-RAY DIFFRACTION42.78
3.81-3.920.30111980.24843295X-RAY DIFFRACTION52.69
3.92-4.050.3512090.23494123X-RAY DIFFRACTION64.85
4.05-4.190.27112280.21964882X-RAY DIFFRACTION76.75
4.19-4.360.27953010.215266X-RAY DIFFRACTION84.04
4.36-4.560.26192900.19845746X-RAY DIFFRACTION90.85
4.56-4.80.26373380.20056046X-RAY DIFFRACTION95.3
4.8-5.10.29873360.20855974X-RAY DIFFRACTION95.04
5.1-5.490.30743570.23736170X-RAY DIFFRACTION97.75
5.49-6.040.28062910.24126243X-RAY DIFFRACTION97.87
6.04-6.920.31433190.2546177X-RAY DIFFRACTION96.78
6.92-8.720.25423090.23046026X-RAY DIFFRACTION94.3
8.72-126.630.2112790.19026056X-RAY DIFFRACTION93.12
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.01894253628-0.04478402476540.7141692798245.7080707872-0.3256840372234.18302565259-0.00371433477630.756908281856-0.274358371412-0.7206152188390.03647754160080.1061412797260.4231332612990.115305574619-0.02146335053770.194100114641-0.1116653743640.01099115684560.375322867169-0.1566507893080.208731658756-232.59950509791.4715456599207.592363902
24.574042884660.741009702813-0.9858951055260.657953571922-0.9761956170874.44206561711-0.2641744464740.0443928698204-0.5475245214260.02544090398510.1020844428510.1360076027410.864273020369-0.4123972459210.1669110702020.3656855318620.13868557420.1105785715760.353465482826-0.05844045482490.226383128369-241.43487133289.0026991212218.609371741
31.124841608520.5219045081770.0889982924151.0581216991-0.004371096545790.3618464528810.0186417567969-0.0700060017294-0.132580493916-0.07056698331-0.1262554349750.04626615262250.0211658556310.0517753745477-0.06014266161790.168261784751-0.1581504930230.18385297604-0.1774666608090.08747560297330.142522810626-232.10019703395.5593142847229.882848564
41.146698828980.155057745758-0.1796139874680.70388391459-0.1292325283520.6667152628680.110244520166-0.08392571761140.238388202820.150424746015-0.261834739728-0.539942219094-0.193841734450.461421580649-0.1281641791360.0541137922395-0.2373065275160.1637493096880.06226494208680.2624024945070.336945455952-212.219059156106.554674677230.319552422
51.11476128523-0.1962585837930.02668575296340.4352730764380.4641845771920.530003271827-0.03496569311860.565442060778-0.087914512034-0.372974163487-0.00199417376376-0.1664340715920.1156216510890.236099063829-0.02022871305060.4237247386370.1738483161190.6296814179450.31068379864-0.004679462377110.0184659817548-218.03413445393.854562609208.409758375
61.284266549530.01284643980.500124871311.548434198610.009058779125482.059837590230.0701953418578-0.0464877594526-0.06172086807350.0782210115534-0.0536015933821-0.0588827021414-0.0082810008493-0.000330553282712-0.03568566087370.144295569016-0.1891078687320.05139410049690.0895666969698-0.1054232481050.262323253236-232.18145360198.602609982252.356341844
73.9687471971-1.248021591021.772850078041.615845455731.052412823843.30713982852-0.0279288219019-0.208211335607-0.5330939415570.02786427001080.183722858235-0.3762354076630.2110096746140.560164521743-0.06989583524790.04116496354050.03861907551820.1362794663390.1790798361270.08274733854940.229264170041-226.01200506395.259246532244.875192911
81.999591977291.11893207441-0.64122971630.785283902954-0.7245219631411.03470219722-0.1492630538210.0813821641255-0.098882147623-0.1071441724060.0192816460164-0.07391505964920.05491476948620.04564546467640.02090398776620.162954556765-0.04728120978230.204482403993-0.004467829066510.08570565975480.181869753028-232.612373008105.384393204241.256585469
91.52774281478-0.211209256828-0.3727349090592.70239615956-0.8859830876522.539749675950.0901442276875-0.009720417995940.1965861608020.1724387538530.0808227982982-0.158389085137-0.1969752465960.0192397732029-0.1472002752310.125681060377-0.0268700123771-0.0789139186673-0.0387161638130.02420207522580.0348344793449-234.472372902101.422445701246.343993057
102.600499868763.577425281382.357716790546.613058305972.581764301924.968582090910.0310448896704-0.708445982544-1.192552485280.411143703772-0.1103007149220.4019958931890.882682577869-0.2766816684540.05014716984740.3230276868650.01952043198370.1229915905760.2989400982420.1186145505810.57305110562-256.78781213785.904497881226.624965064
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1951.329105770762.0588450393-0.4398789110225.37162910962-0.5438530031850.1545191339160.120920186163-0.376450104554-0.4978835184780.03954559332520.05552910698380.1323777321590.9791020795680.0510789798498-0.2015247099781.889325459740.149330930535-0.3976280672851.387260402410.4620012853470.875019598894-128.4353143758.75094981358-7.07368367986
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1970.918842250861-0.382819044703-0.1323475356982.80050260419-3.191238534495.193545088360.322586057198-0.158454622013-0.33891213302-0.333141685237-0.338137206708-0.145583597140.967601672596-0.0388423643024-0.002785374880771.174158574980.142024389389-0.3607625683321.023471198380.1498890818230.541797486728-131.25560574919.6652453399-20.2128032266
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1997.86449588674-3.100225055533.115798175262.96788279775-3.894109082345.304641375140.0307480855111-0.425607713318-0.2795779054270.174953743273-0.14737184625-0.4938158352590.3414369044640.445389878970.1306562960381.263550407610.617774450914-0.27048937331.282328991320.1405182112020.756188596275-122.00549536815.5861335202-19.2681693359
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2012.304658072990.7812960938881.514340092980.2650387077410.5121850933272.090476497190.2428690306250.106492349597-0.5145075890120.1716489132320.103457137166-0.1976664570190.4405012267970.128194711627-0.4290874398791.56734473128-0.106405705652-0.8618831493811.06785145011-0.03275364313731.21189509092-115.027609886-0.0635145541253-33.4652381164
2026.242364630484.313544315581.270037627966.089660406434.34091789574.116369362160.3456373309730.377695143873-2.012543196880.466375639566-0.501344954438-0.6734301239462.295225835981.305191070350.164855489241.760666828130.445827486464-0.5588826910890.880070656129-0.2830878644661.73182996106-121.557249514-6.02704841745-46.4953594446
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2401.61408588532-0.0343477605516-0.5183766158481.5455358241.713103281532.042598375840.03082641911550.0849906871901-0.2957653686320.128967833154-0.01392314245520.07440121776970.2187763356790.0432702030109-0.02669947279810.9149910563740.1909675817780.1283108047530.375430025854-0.2045065593220.638279876436-114.7194102327.01342913469-94.691021197
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 239 through 288 )AA239 - 2881 - 50
22chain 'A' and (resid 289 through 312 )AA289 - 31251 - 74
33chain 'A' and (resid 313 through 360 )AA313 - 36075 - 122
44chain 'A' and (resid 361 through 434 )AA361 - 434123 - 196
55chain 'A' and (resid 435 through 500 )AA435 - 500197 - 262
66chain 'B' and (resid 1 through 22 )BB1 - 221 - 22
77chain 'B' and (resid 23 through 44 )BB23 - 4423 - 44
88chain 'B' and (resid 45 through 56 )BB45 - 5645 - 56
99chain 'B' and (resid 57 through 73 )BB57 - 7357 - 73
1010chain 'C' and (resid 1 through 16 )CC1 - 161 - 16
1111chain 'C' and (resid 17 through 22 )CC17 - 2217 - 22
1212chain 'C' and (resid 23 through 34 )CC23 - 3423 - 34
1313chain 'C' and (resid 35 through 49 )CC35 - 4935 - 49
1414chain 'C' and (resid 50 through 65 )CC50 - 6550 - 65
1515chain 'C' and (resid 66 through 71 )CC66 - 7166 - 71
1616chain 'C' and (resid 72 through 76 )CC72 - 7672 - 76
1717chain 'D' and (resid 1 through 6 )DD1 - 61 - 6
1818chain 'D' and (resid 7 through 11 )DD7 - 117 - 11
1919chain 'D' and (resid 12 through 22 )DD12 - 2212 - 22
2020chain 'D' and (resid 23 through 44 )DD23 - 4423 - 44
2121chain 'D' and (resid 45 through 59 )DD45 - 5945 - 59
2222chain 'D' and (resid 60 through 71 )DD60 - 7160 - 71
2323chain 'D' and (resid 72 through 76 )DD72 - 7672 - 76
2424chain 'E' and (resid 1 through 22 )EE1 - 221 - 22
2525chain 'E' and (resid 23 through 33 )EE23 - 3323 - 33
2626chain 'E' and (resid 34 through 44 )EE34 - 4434 - 44
2727chain 'E' and (resid 45 through 59 )EE45 - 5945 - 59
2828chain 'E' and (resid 60 through 65 )EE60 - 6560 - 65
2929chain 'E' and (resid 66 through 75 )EE66 - 7566 - 75
3030chain 'F' and (resid 1 through 6 )FF1 - 61 - 6
3131chain 'F' and (resid 7 through 22 )FF7 - 227 - 22
3232chain 'F' and (resid 23 through 44 )FF23 - 4423 - 44
3333chain 'F' and (resid 45 through 55 )FF45 - 5545 - 55
3434chain 'F' and (resid 56 through 65 )FF56 - 6556 - 65
3535chain 'F' and (resid 66 through 76 )FF66 - 7666 - 76
3636chain 'G' and (resid 239 through 288 )GG239 - 2881 - 50
3737chain 'G' and (resid 289 through 334 )GG289 - 33451 - 96
3838chain 'G' and (resid 335 through 462 )GG335 - 46297 - 224
3939chain 'G' and (resid 463 through 500 )GG463 - 500225 - 262
4040chain 'H' and (resid 1 through 16 )HH1 - 161 - 16
4141chain 'H' and (resid 17 through 34 )HH17 - 3417 - 34
4242chain 'H' and (resid 35 through 44 )HH35 - 4435 - 44
4343chain 'H' and (resid 45 through 65 )HH45 - 6545 - 65
4444chain 'H' and (resid 66 through 73 )HH66 - 7366 - 73
4545chain 'I' and (resid 1 through 22 )II1 - 221 - 22
4646chain 'I' and (resid 23 through 34 )II23 - 3423 - 34
4747chain 'I' and (resid 35 through 44 )II35 - 4435 - 44
4848chain 'I' and (resid 45 through 76 )II45 - 7645 - 76
4949chain 'J' and (resid 1 through 6 )JJ1 - 61 - 6
5050chain 'J' and (resid 7 through 11 )JJ7 - 117 - 11
5151chain 'J' and (resid 12 through 22 )JJ12 - 2212 - 22
5252chain 'J' and (resid 23 through 33 )JJ23 - 3323 - 33
5353chain 'J' and (resid 34 through 44 )JJ34 - 4434 - 44
5454chain 'J' and (resid 45 through 54 )JJ45 - 5445 - 54
5555chain 'J' and (resid 55 through 65 )JJ55 - 6555 - 65
5656chain 'J' and (resid 66 through 71 )JJ66 - 7166 - 71
5757chain 'J' and (resid 72 through 76 )JJ72 - 7672 - 76
5858chain 'K' and (resid 1 through 7 )KK1 - 71 - 7
5959chain 'K' and (resid 8 through 22 )KK8 - 228 - 22
6060chain 'K' and (resid 23 through 33 )KK23 - 3323 - 33
6161chain 'K' and (resid 34 through 44 )KK34 - 4434 - 44
6262chain 'K' and (resid 45 through 56 )KK45 - 5645 - 56
6363chain 'K' and (resid 57 through 65 )KK57 - 6557 - 65
6464chain 'K' and (resid 66 through 74 )KK66 - 7466 - 74
6565chain 'L' and (resid 1 through 6 )LL1 - 61 - 6
6666chain 'L' and (resid 7 through 22 )LL7 - 227 - 22
6767chain 'L' and (resid 23 through 40 )LL23 - 4023 - 40
6868chain 'L' and (resid 41 through 49 )LL41 - 4941 - 49
6969chain 'L' and (resid 50 through 54 )LL50 - 5450 - 54
7070chain 'L' and (resid 55 through 65 )LL55 - 6555 - 65
7171chain 'L' and (resid 66 through 76 )LL66 - 7666 - 76
7272chain 'M' and (resid 238 through 288 )MM238 - 2881 - 51
7373chain 'M' and (resid 289 through 335 )MM289 - 33552 - 98
7474chain 'M' and (resid 336 through 483 )MM336 - 48399 - 246
7575chain 'M' and (resid 484 through 500 )MM484 - 500247 - 263
7676chain 'N' and (resid 1 through 16 )NN1 - 161 - 16
7777chain 'N' and (resid 17 through 22 )NN17 - 2217 - 22
7878chain 'N' and (resid 23 through 34 )NN23 - 3423 - 34
7979chain 'N' and (resid 35 through 55 )NN35 - 5535 - 55
8080chain 'N' and (resid 56 through 73 )NN56 - 7356 - 73
8181chain 'O' and (resid 1 through 16 )OO1 - 161 - 16
8282chain 'O' and (resid 17 through 34 )OO17 - 3417 - 34
8383chain 'O' and (resid 35 through 44 )OO35 - 4435 - 44
8484chain 'O' and (resid 45 through 54 )OO45 - 5445 - 54
8585chain 'O' and (resid 55 through 76 )OO55 - 7655 - 76
8686chain 'P' and (resid 1 through 6 )PP1 - 61 - 6
8787chain 'P' and (resid 7 through 11 )PP7 - 117 - 11
8888chain 'P' and (resid 12 through 22 )PP12 - 2212 - 22
8989chain 'P' and (resid 23 through 33 )PP23 - 3323 - 33
9090chain 'P' and (resid 34 through 44 )PP34 - 4434 - 44
9191chain 'P' and (resid 45 through 54 )PP45 - 5445 - 54
9292chain 'P' and (resid 55 through 65 )PP55 - 6555 - 65
9393chain 'P' and (resid 66 through 71 )PP66 - 7166 - 71
9494chain 'P' and (resid 72 through 76 )PP72 - 7672 - 76
9595chain 'Q' and (resid 1 through 7 )QQ1 - 71 - 7
9696chain 'Q' and (resid 8 through 22 )QQ8 - 228 - 22
9797chain 'Q' and (resid 23 through 33 )QQ23 - 3323 - 33
9898chain 'Q' and (resid 34 through 40 )QQ34 - 4034 - 40
9999chain 'Q' and (resid 41 through 45 )QQ41 - 4541 - 45
100100chain 'Q' and (resid 46 through 50 )QQ46 - 5046 - 50
101101chain 'Q' and (resid 51 through 59 )QQ51 - 5951 - 59
102102chain 'Q' and (resid 60 through 65 )QQ60 - 6560 - 65
103103chain 'Q' and (resid 66 through 71 )QQ66 - 7166 - 71
104104chain 'R' and (resid 1 through 33 )RR1 - 331 - 33
105105chain 'R' and (resid 34 through 44 )RR34 - 4434 - 44
106106chain 'R' and (resid 45 through 65 )RR45 - 6545 - 65
107107chain 'R' and (resid 66 through 76 )RR66 - 7666 - 76
108108chain 'S' and (resid 238 through 288 )SS238 - 2881 - 51
109109chain 'S' and (resid 289 through 328 )SS289 - 32852 - 91
110110chain 'S' and (resid 329 through 402 )SS329 - 40292 - 165
111111chain 'S' and (resid 403 through 434 )SS403 - 434166 - 197
112112chain 'S' and (resid 435 through 500 )SS435 - 500198 - 263
113113chain 'T' and (resid 1 through 22 )TT1 - 221 - 22
114114chain 'T' and (resid 23 through 44 )TT23 - 4423 - 44
115115chain 'T' and (resid 45 through 64 )TT45 - 6445 - 64
116116chain 'T' and (resid 65 through 73 )TT65 - 7365 - 73
117117chain 'U' and (resid 1 through 7 )UU1 - 71 - 7
118118chain 'U' and (resid 8 through 16 )UU8 - 168 - 16
119119chain 'U' and (resid 17 through 22 )UU17 - 2217 - 22
120120chain 'U' and (resid 23 through 34 )UU23 - 3423 - 34
121121chain 'U' and (resid 35 through 49 )UU35 - 4935 - 49
122122chain 'U' and (resid 50 through 54 )UU50 - 5450 - 54
123123chain 'U' and (resid 55 through 59 )UU55 - 5955 - 59
124124chain 'U' and (resid 60 through 76 )UU60 - 7660 - 76
125125chain 'V' and (resid 1 through 16 )VV1 - 161 - 16
126126chain 'V' and (resid 17 through 38 )VV17 - 3817 - 38
127127chain 'V' and (resid 39 through 58 )VV39 - 5839 - 58
128128chain 'V' and (resid 59 through 76 )VV59 - 7659 - 76
129129chain 'W' and (resid 1 through 7 )WW1 - 71 - 7
130130chain 'W' and (resid 8 through 16 )WW8 - 168 - 16
131131chain 'W' and (resid 17 through 22 )WW17 - 2217 - 22
132132chain 'W' and (resid 23 through 34 )WW23 - 3423 - 34
133133chain 'W' and (resid 35 through 49 )WW35 - 4935 - 49
134134chain 'W' and (resid 50 through 59 )WW50 - 5950 - 59
135135chain 'W' and (resid 60 through 72 )WW60 - 7260 - 72
136136chain 'X' and (resid 1 through 11 )XX1 - 111 - 11
137137chain 'X' and (resid 12 through 22 )XX12 - 2212 - 22
138138chain 'X' and (resid 23 through 34 )XX23 - 3423 - 34
139139chain 'X' and (resid 35 through 44 )XX35 - 4435 - 44
140140chain 'X' and (resid 45 through 56 )XX45 - 5645 - 56
141141chain 'X' and (resid 57 through 65 )XX57 - 6557 - 65
142142chain 'X' and (resid 66 through 76 )XX66 - 7666 - 76
143143chain 'Y' and (resid 238 through 288 )YY238 - 2881 - 51
144144chain 'Y' and (resid 289 through 335 )YY289 - 33552 - 98
145145chain 'Y' and (resid 336 through 418 )YY336 - 41899 - 181
146146chain 'Y' and (resid 419 through 447 )YY419 - 447182 - 210
147147chain 'Y' and (resid 448 through 500 )YY448 - 500211 - 263
148148chain 'Z' and (resid 1 through 16 )ZZ1 - 161 - 16
149149chain 'Z' and (resid 17 through 44 )ZZ17 - 4417 - 44
150150chain 'Z' and (resid 45 through 73 )ZZ45 - 7345 - 73
151151chain 'a' and (resid 1 through 7 )aAA1 - 71 - 7
152152chain 'a' and (resid 8 through 16 )aAA8 - 168 - 16
153153chain 'a' and (resid 17 through 22 )aAA17 - 2217 - 22
154154chain 'a' and (resid 23 through 34 )aAA23 - 3423 - 34
155155chain 'a' and (resid 35 through 44 )aAA35 - 4435 - 44
156156chain 'a' and (resid 45 through 54 )aAA45 - 5445 - 54
157157chain 'a' and (resid 55 through 59 )aAA55 - 5955 - 59
158158chain 'a' and (resid 60 through 71 )aAA60 - 7160 - 71
159159chain 'a' and (resid 72 through 76 )aAA72 - 7672 - 76
160160chain 'b' and (resid 1 through 11 )bBA1 - 111 - 11
161161chain 'b' and (resid 12 through 33 )bBA12 - 3312 - 33
162162chain 'b' and (resid 34 through 55 )bBA34 - 5534 - 55
163163chain 'b' and (resid 56 through 76 )bBA56 - 7656 - 76
164164chain 'c' and (resid 1 through 16 )cCA1 - 161 - 16
165165chain 'c' and (resid 17 through 45 )cCA17 - 4517 - 45
166166chain 'c' and (resid 46 through 65 )cCA46 - 6546 - 65
167167chain 'c' and (resid 66 through 73 )cCA66 - 7366 - 73
168168chain 'd' and (resid 1 through 22 )dDA1 - 221 - 22
169169chain 'd' and (resid 23 through 44 )dDA23 - 4423 - 44
170170chain 'd' and (resid 45 through 55 )dDA45 - 5545 - 55
171171chain 'd' and (resid 56 through 65 )dDA56 - 6556 - 65
172172chain 'd' and (resid 66 through 76 )dDA66 - 7666 - 76
173173chain 'e' and (resid 238 through 304 )eEA238 - 3041 - 67
174174chain 'e' and (resid 305 through 344 )eEA305 - 34468 - 107
175175chain 'e' and (resid 345 through 417 )eEA345 - 417108 - 180
176176chain 'e' and (resid 418 through 500 )eEA418 - 500181 - 263
177177chain 'f' and (resid 1 through 16 )fFA1 - 161 - 16
178178chain 'f' and (resid 17 through 22 )fFA17 - 2217 - 22
179179chain 'f' and (resid 23 through 34 )fFA23 - 3423 - 34
180180chain 'f' and (resid 35 through 40 )fFA35 - 4035 - 40
181181chain 'f' and (resid 41 through 49 )fFA41 - 4941 - 49
182182chain 'f' and (resid 50 through 54 )fFA50 - 5450 - 54
183183chain 'f' and (resid 55 through 59 )fFA55 - 5955 - 59
184184chain 'f' and (resid 60 through 73 )fFA60 - 7360 - 73
185185chain 'g' and (resid 1 through 16 )gGA1 - 161 - 16
186186chain 'g' and (resid 17 through 34 )gGA17 - 3417 - 34
187187chain 'g' and (resid 35 through 65 )gGA35 - 6535 - 65
188188chain 'g' and (resid 66 through 76 )gGA66 - 7666 - 76
189189chain 'h' and (resid 1 through 16 )hHA1 - 161 - 16
190190chain 'h' and (resid 17 through 49 )hHA17 - 4917 - 49
191191chain 'h' and (resid 50 through 76 )hHA50 - 7650 - 76
192192chain 'i' and (resid 1 through 7 )iIA1 - 71 - 7
193193chain 'i' and (resid 8 through 16 )iIA8 - 168 - 16
194194chain 'i' and (resid 17 through 22 )iIA17 - 2217 - 22
195195chain 'i' and (resid 23 through 33 )iIA23 - 3323 - 33
196196chain 'i' and (resid 34 through 44 )iIA34 - 4434 - 44
197197chain 'i' and (resid 45 through 49 )iIA45 - 4945 - 49
198198chain 'i' and (resid 50 through 54 )iIA50 - 5450 - 54
199199chain 'i' and (resid 55 through 65 )iIA55 - 6555 - 65
200200chain 'i' and (resid 66 through 73 )iIA66 - 7366 - 73
201201chain 'j' and (resid 1 through 16 )jJA1 - 161 - 16
202202chain 'j' and (resid 17 through 22 )jJA17 - 2217 - 22
203203chain 'j' and (resid 23 through 44 )jJA23 - 4423 - 44
204204chain 'j' and (resid 45 through 55 )jJA45 - 5545 - 55
205205chain 'j' and (resid 56 through 65 )jJA56 - 6556 - 65
206206chain 'j' and (resid 66 through 76 )jJA66 - 7666 - 76
207207chain 'k' and (resid 238 through 288 )kKA238 - 2881 - 51
208208chain 'k' and (resid 289 through 386 )kKA289 - 38652 - 149
209209chain 'k' and (resid 387 through 448 )kKA387 - 448150 - 211
210210chain 'k' and (resid 449 through 500 )kKA449 - 500212 - 263
211211chain 'l' and (resid 1 through 22 )lLA1 - 221 - 22
212212chain 'l' and (resid 23 through 44 )lLA23 - 4423 - 44
213213chain 'l' and (resid 45 through 55 )lLA45 - 5545 - 55
214214chain 'l' and (resid 56 through 73 )lLA56 - 7356 - 73
215215chain 'm' and (resid 1 through 7 )mMA1 - 71 - 7
216216chain 'm' and (resid 8 through 16 )mMA8 - 168 - 16
217217chain 'm' and (resid 17 through 22 )mMA17 - 2217 - 22
218218chain 'm' and (resid 23 through 34 )mMA23 - 3423 - 34
219219chain 'm' and (resid 35 through 44 )mMA35 - 4435 - 44
220220chain 'm' and (resid 45 through 55 )mMA45 - 5545 - 55
221221chain 'm' and (resid 56 through 71 )mMA56 - 7156 - 71
222222chain 'm' and (resid 72 through 76 )mMA72 - 7672 - 76
223223chain 'n' and (resid 1 through 22 )nNA1 - 221 - 22
224224chain 'n' and (resid 23 through 33 )nNA23 - 3323 - 33
225225chain 'n' and (resid 34 through 44 )nNA34 - 4434 - 44
226226chain 'n' and (resid 45 through 75 )nNA45 - 7545 - 75
227227chain 'o' and (resid 1 through 7 )oOA1 - 71 - 7
228228chain 'o' and (resid 8 through 34 )oOA8 - 348 - 34
229229chain 'o' and (resid 35 through 50 )oOA35 - 5035 - 50
230230chain 'o' and (resid 51 through 56 )oOA51 - 5651 - 56
231231chain 'o' and (resid 57 through 72 )oOA57 - 7257 - 72
232232chain 'p' and (resid 1 through 6 )pPA1 - 61 - 6
233233chain 'p' and (resid 7 through 16 )pPA7 - 167 - 16
234234chain 'p' and (resid 17 through 22 )pPA17 - 2217 - 22
235235chain 'p' and (resid 23 through 34 )pPA23 - 3423 - 34
236236chain 'p' and (resid 35 through 49 )pPA35 - 4935 - 49
237237chain 'p' and (resid 50 through 54 )pPA50 - 5450 - 54
238238chain 'p' and (resid 55 through 59 )pPA55 - 5955 - 59
239239chain 'p' and (resid 60 through 65 )pPA60 - 6560 - 65
240240chain 'p' and (resid 66 through 76 )pPA66 - 7666 - 76

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