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- PDB-7xwa: Crystal structure of the receptor binding domain of SARS-CoV-2 Om... -

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Basic information

Entry
Database: PDB / ID: 7xwa
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
Components
  • Processed angiotensin-converting enzyme 2
  • Spike protein S1
KeywordsVIRAL PROTEIN / Spike protein / Receptor / Coronavirus
Function / homology
Function and homology information


positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / regulation of systemic arterial blood pressure by renin-angiotensin / tryptophan transport / positive regulation of gap junction assembly / regulation of vasoconstriction / regulation of cardiac conduction ...positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / regulation of systemic arterial blood pressure by renin-angiotensin / tryptophan transport / positive regulation of gap junction assembly / regulation of vasoconstriction / regulation of cardiac conduction / peptidyl-dipeptidase activity / angiotensin maturation / maternal process involved in female pregnancy / metallocarboxypeptidase activity / Metabolism of Angiotensinogen to Angiotensins / Attachment and Entry / carboxypeptidase activity / negative regulation of signaling receptor activity / positive regulation of cardiac muscle contraction / regulation of cytokine production / viral life cycle / blood vessel diameter maintenance / brush border membrane / regulation of transmembrane transporter activity / negative regulation of smooth muscle cell proliferation / cilium / negative regulation of ERK1 and ERK2 cascade / endocytic vesicle membrane / metallopeptidase activity / positive regulation of reactive oxygen species metabolic process / virus receptor activity / regulation of cell population proliferation / regulation of inflammatory response / Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / endopeptidase activity / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / Potential therapeutics for SARS / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / entry receptor-mediated virion attachment to host cell / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / host cell surface receptor binding / symbiont entry into host cell / membrane raft / apical plasma membrane / fusion of virus membrane with host plasma membrane / endoplasmic reticulum lumen / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / cell surface / extracellular space / extracellular exosome / zinc ion binding / extracellular region / membrane / identical protein binding / plasma membrane
Similarity search - Function
Collectrin-like domain profile. / Collectrin domain / Renal amino acid transporter / Peptidase family M2 domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Neutral zinc metallopeptidases, zinc-binding region signature. / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. ...Collectrin-like domain profile. / Collectrin domain / Renal amino acid transporter / Peptidase family M2 domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Neutral zinc metallopeptidases, zinc-binding region signature. / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal
Similarity search - Domain/homology
Spike glycoprotein / Angiotensin-converting enzyme 2
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.36 Å
AuthorsSuzuki, T. / Kimura, K. / Hashiguchi, T.
Funding support Japan, 2items
OrganizationGrant numberCountry
Ministry of Education, Culture, Sports, Science and Technology (Japan)20H05773 Japan
Japan Science and TechnologyJPMJCR20H8 Japan
CitationJournal: Cell / Year: 2022
Title: Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Authors: Kimura, I. / Yamasoba, D. / Tamura, T. / Nao, N. / Suzuki, T. / Oda, Y. / Mitoma, S. / Ito, J. / Nasser, H. / Zahradnik, J. / Uriu, K. / Fujita, S. / Kosugi, Y. / Wang, L. / Tsuda, M. / ...Authors: Kimura, I. / Yamasoba, D. / Tamura, T. / Nao, N. / Suzuki, T. / Oda, Y. / Mitoma, S. / Ito, J. / Nasser, H. / Zahradnik, J. / Uriu, K. / Fujita, S. / Kosugi, Y. / Wang, L. / Tsuda, M. / Kishimoto, M. / Ito, H. / Suzuki, R. / Shimizu, R. / Begum, M.M. / Yoshimatsu, K. / Kimura, K.T. / Sasaki, J. / Sasaki-Tabata, K. / Yamamoto, Y. / Nagamoto, T. / Kanamune, J. / Kobiyama, K. / Asakura, H. / Nagashima, M. / Sadamasu, K. / Yoshimura, K. / Shirakawa, K. / Takaori-Kondo, A. / Kuramochi, J. / Schreiber, G. / Ishii, K.J. / Hashiguchi, T. / Ikeda, T. / Saito, A. / Fukuhara, T. / Tanaka, S. / Matsuno, K. / Sato, K.
History
DepositionMay 26, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Sep 28, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 19, 2022Group: Database references / Category: citation / citation_author
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_author.name
Revision 1.2Nov 2, 2022Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3Nov 29, 2023Group: 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: Processed angiotensin-converting enzyme 2
B: Spike protein S1
C: Processed angiotensin-converting enzyme 2
D: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)199,03517
Polymers193,7104
Non-polymers5,32513
Water0
1
A: Processed angiotensin-converting enzyme 2
B: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)99,1638
Polymers96,8552
Non-polymers2,3096
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Processed angiotensin-converting enzyme 2
D: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)99,8719
Polymers96,8552
Non-polymers3,0167
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)85.510, 130.010, 101.880
Angle α, β, γ (deg.)90.000, 92.640, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein Processed angiotensin-converting enzyme 2


Mass: 70485.102 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ACE2, UNQ868/PRO1885 / Production host: Homo sapiens (human) / References: UniProt: Q9BYF1
#2: Protein Spike protein S1


Mass: 26369.863 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2

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Sugars , 5 types, 11 molecules

#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 3 / Source method: obtained synthetically
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#8: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 1 types, 2 molecules

#7: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION

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Details

Has ligand of interestY

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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: 2.92 Å3/Da / Density % sol: 57.88 %
Crystal growTemperature: 293 K / Method: vapor diffusion / Details: 0.1M MES pH6.5, 11-13% PEG6000, 5% MPD

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.98 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 15, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 3.36→47.39 Å / Num. obs: 31338 / % possible obs: 98.8 % / Redundancy: 3.4 % / Biso Wilson estimate: 104.08 Å2 / CC1/2: 0.997 / Net I/σ(I): 6.7
Reflection shellResolution: 3.36→3.57 Å / Num. unique obs: 4810 / CC1/2: 0.921

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Processing

Software
NameVersionClassification
BUSTER2.10.4.refinement
PHENIX1.19.2_4158refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7wbp

7wbp


Resolution: 3.36→47.39 Å / SU ML: 0.5798 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 38.2559
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2867 1555 5.02 %
Rwork0.2309 29417 -
obs0.2337 30972 97.64 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 130.25 Å2
Refinement stepCycle: LAST / Resolution: 3.36→47.39 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12832 0 345 0 13177
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00513543
X-RAY DIFFRACTIONf_angle_d0.834418410
X-RAY DIFFRACTIONf_chiral_restr0.05442000
X-RAY DIFFRACTIONf_plane_restr0.00652351
X-RAY DIFFRACTIONf_dihedral_angle_d14.28724952
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.36-3.470.47931280.44222424X-RAY DIFFRACTION88.98
3.47-3.60.39881530.34132649X-RAY DIFFRACTION97.29
3.6-3.740.4071390.30542653X-RAY DIFFRACTION97.83
3.74-3.910.29911310.27152737X-RAY DIFFRACTION98.46
3.91-4.120.3351460.26412658X-RAY DIFFRACTION98.56
4.12-4.380.28461370.24062699X-RAY DIFFRACTION98.78
4.38-4.710.26921470.21342675X-RAY DIFFRACTION97.82
4.71-5.190.28581370.20432705X-RAY DIFFRACTION98.92
5.19-5.940.28121480.21782725X-RAY DIFFRACTION99.31
5.94-7.470.29121430.2382727X-RAY DIFFRACTION99.48
7.47-47.390.21681460.17192765X-RAY DIFFRACTION98.54
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)
10.1620666957060.3580716028570.4096185217291.08214167116-0.2048515687264.10911299508-0.1867654880330.303993970594-0.152554107454-0.06444949932170.3082708905060.3909141350580.206611599497-0.625836005669-0.217624621380.9972714716530.0813909824667-0.3392789938681.891974509170.1457781299190.7594653295693.31812645742-3.8278621862858.2753241702
20.172148160056-0.3492636902780.5820272696071.79690953993-0.8496600343061.73403525225-0.2500442576190.754640543191-0.692288034072-0.331886208289-0.02582208270510.4393795416930.5217240161360.107351312050.02247003936890.9809432070220.0305627277746-0.2950120400491.63365329093-0.001434929833460.5273832838668.81335514033-11.38749228257.3533548948
38.224151459040.199193174137-1.729216375435.57508853826-0.08433564452210.379345821448-0.335965542844-0.04252695110941.03899584562-1.022174546460.337487679837-0.6534953367820.414589086219-0.300297818219-0.01483447101071.329294004810.0263221314452-0.3194127855422.086658618250.2158404729110.9869124175513.3338706753326.1409314013.63530683427
41.08275846265-0.1326387527490.8121151235820.930450017433-0.1225564390221.11938181451-0.05513703660930.324125773451-0.02110739915150.0344360563476-0.07224777458510.007637894005880.0649587878474-0.0629916695523-0.007420814478721.27210726765-0.125614657215-0.5432165688942.292361133630.1898728231290.892152517884-8.7579064490517.034837651113.2648171307
50.752788693311-1.067280363471.873266782262.09052284993-2.033725666814.647302809660.04789256339560.0793156196010.120793819250.0953417546483-0.413528280553-0.5088691980040.1599525432730.5825237212910.4328489202550.6868207015690.0986500311912-0.2244570443111.217367552-0.1249608476130.90027819354742.3163534577-40.014139041814.214288756
62.328439616910.108050631941.055318208671.84068477839-0.265441692352.544282300070.335569902042-0.100463765952-0.3100306177290.194822776229-0.389451830276-0.0241969842164-0.192728865497-0.4933215417160.05136079196460.9802920082570.0220065182046-0.2378399452321.52782785836-0.137738317990.59479025112628.5396214997-32.7736163426-1.34694467253
71.065699461440.289193239922-0.308955510450.65865290180.3146508985660.6602573559240.0768994762165-0.3890912106080.0502415730262-0.1286450863360.0313628432304-0.312726713073-0.364153311629-0.392911162599-0.09060049748121.321284709330.0479167379045-0.3897306251251.685121078910.0026321635820.78532193798135.7310177739-15.397525317415.4435314295
80.8964472865080.248752029760.6180637751710.896444799978-0.03202641871942.322563817350.43389948671-0.0648405828429-0.253388349138-0.135809968338-0.1793762586330.378869156501-0.188317264255-0.389161004866-0.1258390710291.155670989710.199489285662-0.4794119930081.847908101970.005850942791970.72075180399524.018267493-23.77892066753.26604398881
92.506228683351.180632003981.733457103982.24842865853-0.3784294984442.03545962963-0.099929662162-0.7939992015010.5452134770320.594882918263-0.056634103148-0.055943105722-0.322994698717-0.08244771277440.2134757127151.565136579560.190636992-0.7691521958312.35760956908-0.4077195606580.9956232302151.3706483023-37.415739323458.8636520446
105.508782130310.1685125280420.7736423549877.572290172.795478459951.14429675498-0.200416464775-0.6555407074370.5892654378431.526329231720.138063696145-0.441324290012-0.558369961735-0.5386725817230.1141128160581.67285088440.15092560619-0.4538778530521.53767463969-0.1223552743270.88787149919243.429427614-29.972519314265.3138960638
114.966271153792.788507557152.076664504785.082969852381.389912015410.884701444461-0.530715617581-0.210576814470.141536491570.9339913438170.354244521184-0.186043543701-0.2277972039110.03310256771980.09555281407161.21676122280.100419364572-0.3895826435172.32593728701-0.1061069106620.792279049438.7896622411-37.574671209253.1493750408
120.742989989210.399238610769-0.6330141193584.89660823873-1.110861242311.865888691910.00901227631421-0.131945979399-0.125125366368-0.1230550816060.2042406119240.2570125260850.0968343783408-0.246539220068-0.2011256727241.03626306881-0.018934995037-0.3943216584832.10991659186-0.01204664810770.81282040195741.9532749429-45.918423422647.8012919618
135.307237398041.204005343112.962772197730.8120660587481.492244124313.05868866181-0.266818319282-0.1240424596970.262235280417-0.03113540843010.06593488274370.437424773607-0.345764187499-0.1516867422560.22314889751.07197806522-0.048741174833-0.348851798891.590859771840.1570917711630.821284842223-15.73571610219.4668844067937.4068076217
141.328977352020.14063101666-1.255966929224.692740517751.421484763671.93822168725-0.03156310165140.1197990129530.219061508728-3.68572146647E-50.325355501340.354244087529-0.1547295119950.00950945282022-0.2679863888371.118213008250.103236933598-0.4254980580382.100709379120.1699150146530.884973163473-8.886365542186.6356736399163.1955664326
150.7154728881290.0007625654429170.9021598022991.26631182711-0.2380256582122.06436118459-0.0116256748665-0.3831538919240.04699127936480.43555402929-0.0546488886097-0.1027003956690.0847070267316-0.122882375339-0.03002771335471.127714063860.121604669704-0.4105147906371.991713828440.01647314751490.63859750025613.33752650780.096497683667361.7380000769
161.04039100393-0.1198359500741.191952200730.975014734086-0.04982379728082.65114509047-0.107682910648-0.00499116991187-0.283986408002-0.2254774577820.2279734224780.00585589507674-0.001800023193270.497088835451-0.0222284666220.9295874299730.0532243282475-0.5813227352422.37823308972-0.02253203327640.3576123299139.897293623869.9934443952144.3104362304
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1313chain 'C' and (resid 432 through 558 )CD432 - 558414 - 540
1414chain 'C' and (resid 559 through 614 )CD559 - 614541 - 596
1515chain 'D' and (resid 333 through 393 )DF333 - 3931 - 61
1616chain 'D' and (resid 394 through 527 )DF394 - 52762 - 195
11chain 'A' and (resid 19 through 157 )AA19 - 1571 - 139
22chain 'A' and (resid 158 through 251 )AA158 - 251140 - 233
33chain 'A' and (resid 252 through 431 )AA252 - 431234 - 413
44chain 'A' and (resid 432 through 614 )AA432 - 614414 - 596
55chain 'B' and (resid 333 through 353 )BC333 - 3531 - 21
66chain 'B' and (resid 354 through 393 )BC354 - 39322 - 61
77chain 'B' and (resid 394 through 442 )BC394 - 44262 - 110
88chain 'B' and (resid 443 through 527 )BC443 - 527111 - 195
99chain 'C' and (resid 19 through 109 )CD19 - 1091 - 91
1010chain 'C' and (resid 110 through 218 )CD110 - 21892 - 200
1111chain 'C' and (resid 219 through 318 )CD219 - 318201 - 300
1212chain 'C' and (resid 319 through 431 )CD319 - 431301 - 413

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