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- PDB-9c6y: Crystal structure of SARS-CoV-2 XBB.1.5 RBD bound to COV2-3906 Fab -

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Basic information

Entry
Database: PDB / ID: 9c6y
TitleCrystal structure of SARS-CoV-2 XBB.1.5 RBD bound to COV2-3906 Fab
Components
  • Heavy chain of COV2-3906 Fab
  • Light chain of COV2-3906 Fab
  • Spike protein S2'
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / coronavirus / antibody / fab / IMMUNE SYSTEM / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular region / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / positive regulation of viral entry into host cell ...symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular region / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / positive regulation of viral entry into host cell / membrane fusion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / Attachment and Entry / entry receptor-mediated virion attachment to host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / symbiont-mediated suppression of host innate immune response / endocytosis involved in viral entry into host cell / receptor ligand activity / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / symbiont entry into host cell / virion attachment to host cell / host cell plasma membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / virion membrane / membrane / identical protein binding / plasma membrane
Similarity search - Function
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2
Similarity search - Domain/homology
2-acetamido-2-deoxy-alpha-D-galactopyranose / Spike glycoprotein
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.68 Å
AuthorsBuchman, C.D. / Crowe, J.E.
Funding support United States, 2items
OrganizationGrant numberCountry
Defense Advanced Research Projects Agency (DARPA)HR0011-18-2-0001 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01 AI157155 United States
CitationJournal: Nat Microbiol / Year: 2026
Title: Epitope-focused discovery of SARS-CoV-2 antibodies that potently neutralize Omicron variants.
Authors: Seth J Zost / Naveenchandra Suryadevara / Lauren E Williamson / Suzanne M Scheaffer / Elad Binshtein / Cameron D Buchman / Nicole V Johnson / Nicholas J Catanzaro / Silvia Ravera / Nathaniel ...Authors: Seth J Zost / Naveenchandra Suryadevara / Lauren E Williamson / Suzanne M Scheaffer / Elad Binshtein / Cameron D Buchman / Nicole V Johnson / Nicholas J Catanzaro / Silvia Ravera / Nathaniel S Chapman / Luke Myers / Ajit R Ramamohan / Laura S Handal / Doan C Nguyen / Andrew Trivette / James R Martinez / Eduardo Villalobos / Stacey A Rutherford / F Eun-Hyung Lee / Alexandra Schäfer / Ralph S Baric / Jason S McLellan / Michael S Diamond / Robert H Carnahan / James E Crowe /
Abstract: The emergence of SARS-CoV-2 Omicron variants has led to viral escape from many clinically approved monoclonal antibodies (mAbs) due to rapid evolution of the receptor-binding domain (RBD). Co- ...The emergence of SARS-CoV-2 Omicron variants has led to viral escape from many clinically approved monoclonal antibodies (mAbs) due to rapid evolution of the receptor-binding domain (RBD). Co-circulation of SARS-CoV-2 variants with unique sets of antigenic substitutions has further complicated therapeutic mAb discovery. New approaches are needed to rapidly discover and characterize mAbs with preferred specificity and functional characteristics. Here we describe and perform epitope-focused mAb discovery using glycan-masked antigens. We isolated and expressed a panel of 303 mAbs, some of which potently neutralize divergent Omicron subvariants by targeting the class 3 antigenic site on SARS-CoV-2 RBD. Epitope mapping of these antibodies revealed a spectrum of cross-reactivity and differential recognition of the class 3 site, validating the utility of this enrichment approach for targeted mAb discovery. Together, this work rationally designs glycan-masked engineered RBDs and uses them to isolate mAbs that potently neutralize antigenically divergent SARS-CoV-2 variants.
History
DepositionJun 10, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 8, 2025Provider: repository / Type: Initial release
Revision 1.1Mar 25, 2026Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Apr 22, 2026Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Heavy chain of COV2-3906 Fab
B: Light chain of COV2-3906 Fab
C: Heavy chain of COV2-3906 Fab
D: Light chain of COV2-3906 Fab
E: Spike protein S2'
F: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)146,09919
Polymers143,0366
Non-polymers3,06413
Water1,69394
1
A: Heavy chain of COV2-3906 Fab
B: Light chain of COV2-3906 Fab
E: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)73,11311
Polymers71,5183
Non-polymers1,5958
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7560 Å2
ΔGint-47 kcal/mol
Surface area29810 Å2
MethodPISA
2
C: Heavy chain of COV2-3906 Fab
D: Light chain of COV2-3906 Fab
F: Spike protein S2'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,9878
Polymers71,5183
Non-polymers1,4695
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7570 Å2
ΔGint-39 kcal/mol
Surface area30060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)66.971, 170.851, 231.543
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Protein , 1 types, 2 molecules EF

#3: Protein Spike protein S2'


Mass: 24446.715 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus
Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2

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Antibody , 2 types, 4 molecules ACBD

#1: Antibody Heavy chain of COV2-3906 Fab


Mass: 23972.875 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody Light chain of COV2-3906 Fab


Mass: 23098.311 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster)

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Sugars , 4 types, 6 molecules

#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 894.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}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


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
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
#9: Sugar ChemComp-A2G / 2-acetamido-2-deoxy-alpha-D-galactopyranose / N-acetyl-alpha-D-galactosamine / 2-acetamido-2-deoxy-alpha-D-galactose / 2-acetamido-2-deoxy-D-galactose / 2-acetamido-2-deoxy-galactose / N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE


Type: D-saccharide, alpha linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGalpNAcaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-a-D-galactopyranosamineCOMMON NAMEGMML 1.0
a-D-GalpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GalNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 101 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 94 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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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: 4.63 Å3/Da / Density % sol: 73.44 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 1.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.1, 2 mM DL-panthenol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-3 / Wavelength: 0.961 Å
DetectorType: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Apr 9, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.961 Å / Relative weight: 1
ReflectionResolution: 2.68→48.5 Å / Num. obs: 75613 / % possible obs: 99.9 % / Redundancy: 13.8 % / Biso Wilson estimate: 69.31 Å2 / CC1/2: 0.996 / Net I/σ(I): 10.7
Reflection shellResolution: 2.68→2.77 Å / Redundancy: 14.5 % / Mean I/σ(I) obs: 0.9 / Num. unique obs: 7276 / CC1/2: 0.492 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.68→48.5 Å / SU ML: 0.4641 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.4561
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2418 1999 2.65 %
Rwork0.2073 73516 -
obs0.2082 75515 99.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 67.73 Å2
Refinement stepCycle: LAST / Resolution: 2.68→48.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9810 0 192 94 10096
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.009610268
X-RAY DIFFRACTIONf_angle_d1.066914057
X-RAY DIFFRACTIONf_chiral_restr0.05831613
X-RAY DIFFRACTIONf_plane_restr0.00851786
X-RAY DIFFRACTIONf_dihedral_angle_d7.15681479
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.68-2.750.48121390.47285122X-RAY DIFFRACTION99.91
2.75-2.820.4331420.3995192X-RAY DIFFRACTION99.96
2.82-2.90.36941420.32425220X-RAY DIFFRACTION100
2.9-30.31711400.28215165X-RAY DIFFRACTION100
3-3.110.32741420.27615204X-RAY DIFFRACTION99.96
3.11-3.230.34091420.27845200X-RAY DIFFRACTION99.98
3.23-3.380.34751420.29575215X-RAY DIFFRACTION100
3.38-3.550.3041420.2195252X-RAY DIFFRACTION100
3.55-3.780.25531420.19855220X-RAY DIFFRACTION100
3.78-4.070.22621420.18825190X-RAY DIFFRACTION98.91
4.07-4.480.1841440.15145302X-RAY DIFFRACTION100
4.48-5.120.18181430.13745291X-RAY DIFFRACTION100
5.12-6.450.1971450.17085345X-RAY DIFFRACTION100
6.45-48.50.18071520.19145598X-RAY DIFFRACTION99.83
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)
10.645377270976-0.0295971949543-1.363099470684.452239136882.61275508754.515363756740.2981376320670.1661751586580.373371668386-0.6580782646680.0250395787747-0.375178660268-0.4467474096960.461534180521-0.3511473669410.426547888405-0.01431755284580.05583083910930.5537281164640.0383287462290.54029581467724.422849126143.925823228725.4143765696
20.4501593352650.526590743059-1.164000707484.251039668020.8275944712583.357451264560.124834546261-0.0503093094322-0.02797133467040.341050119447-0.0405548502126-0.3461777790120.02126434153620.482728487585-0.07786158627290.250879194095-0.00364045365319-0.05964458269110.46641853976-0.0417715869250.42492356854121.954926867444.784585625737.5710906008
30.184734931071-0.6446337297760.01340761577852.890481354181.527752264144.547722289180.1559183573990.264491823254-0.04957726089080.00277101012014-0.219817166784-0.276080334639-0.2608436771690.09637241321550.08748442674920.255837280221-0.00941123891654-0.008723908390920.4260076987690.005006381397370.42331957235919.749136396145.336866626634.6153497854
40.856839914141.18112516248-1.420936768243.086338908740.5563313583714.533826255250.09570031256950.4814725388090.111261670035-0.441127774538-0.3880555459460.911229260845-0.098391070322-0.3235490810920.3154386777870.2485808314830.0425258156828-0.07779906448520.565684143355-0.1407297628060.6137922329812.793352628942.46753489793.25240566986
50.4052602878611.232361303870.0500312740023.89543076508-0.0517165735412.86854354597-0.2225573392660.1575299904740.01374083266110.0475054702976-0.02271263765150.312985943757-0.1711357099980.09218504630580.1800816609630.2560760454520.04236620903070.04194646854820.613678294544-0.05384387175960.55640122766513.414245939845.64372295856.54122675775
60.3693882174251.440776372270.1774178281056.13457356232-0.4472919706033.05306927227-0.161759022793-0.0241030953140.214549865648-0.007606631143870.1278652083990.485497414395-0.336004541454-0.2492513456760.02256996212880.2243613069660.0717784518564-0.01784600878180.554537221677-0.0158526974580.48253264919912.028522827848.07491905464.43121129553
74.094908127160.6755706507441.324401297114.891458873730.05195295164286.721528682340.1603447882510.208745058051-0.0959459661593-0.009521896008890.07875957920640.5389024510820.281052565188-0.719752198951-0.2215216984390.267727247548-0.008657655070510.03344752733920.459709337793-0.01437772172830.409431138257-0.58185169290441.133839184239.0198945062
80.2335114113670.1943558718790.3173199117480.838129514859-0.1012394914024.12560858924-0.02577867062440.1015037590550.00344370692618-0.02451185506980.02594377139490.1396829710140.379438189384-0.438235502152-0.01518941333390.208371758490.0260035793693-0.01774136192920.483904330301-0.02197845058990.4906642241655.1607170347238.240729813514.4959000807
95.25469533777-0.0973089486666-2.171665025542.25881713220.7879449327025.21979130111-0.108106181375-0.00169173145697-0.0765621024088-0.01815471694340.1036257654950.0399720840050.1437107254420.148970468423-0.03403503240230.247595360.0619740683142-0.01864691399720.5350458904660.01365581237090.4807068728761.1167934962733.5387847692-0.599720971162
104.960639570480.1118472868911.665566814151.68311268085-0.579841715812.807548340080.0495271993134-0.05790494391270.1412710621040.125132196148-0.02835581341620.320324349782-0.227925447433-0.328084363754-0.0207751979330.6412774411670.1309689929010.04063352694030.4882065279140.1080136795150.56418175666129.7670112736.9142725481555.4320217974
113.691983419080.4300977295281.332856343020.672303402888-1.792123056676.20417082638-0.413634538302-0.541982068344-0.729770224824-0.0293157538050.3199663420690.03110707930461.350688183680.1863982733020.1184379478070.7476275703630.1560721597840.1194240983090.6480929841140.2099058581460.92651573925213.19173008847.9478804095230.2153440748
125.457290453430.8094563414130.3708542879876.099426737134.901179803227.143954821510.1001496740260.294257399128-1.32465302595-0.3686100508130.400495147229-0.8346245335931.532423107480.349617662799-0.5305760661291.301965601230.1633945303350.1333069911480.8144616378270.03702531234051.0261487502815.05024756152.4645000757320.2949246458
132.619735545730.3337694180150.1114139000474.726056647732.981514905681.83954589288-0.43138114689-0.599559253929-0.8447362866660.576233127075-0.08035388084160.5811666195272.3511923682-0.0628448554960.5052819124451.283766482750.1302510095080.3038853835770.7351378304730.234815956661.148112917718.86966935730.042194981508828.977568324
142.312420445210.6403338684260.5444439982252.37375290599-1.13279637637.35907964223-0.04370023265590.3939552544670.458004763625-0.2464954865860.04772812232870.0503870329263-0.8641225713760.03180658947650.01951268959340.652417286280.0585290489534-0.003199466628730.4633552252230.1268123959160.5862912036346.057759466114.955383151443.2901259923
155.62563049006-0.01584693109890.6527438463533.61617044519-0.5824719262064.978737754190.210538341675-0.318607971133-0.9482408585360.10981022249-0.118969784598-0.09545772147280.6905777242010.235848705017-0.07105526323050.4679770995520.0755925041553-0.008827568610030.3649500424340.01366118750640.51014245095817.534401709417.206424576920.5645266714
165.215600804320.00966390746442-0.3469384812686.32940492218-0.4649243365378.874704554380.1866642996050.1416189342040.358404386375-0.411670245353-0.05692218088380.8068259512950.409257762172-0.623009345567-0.08190458758560.388561143236-0.00043965764214-0.03147120991620.36075011056-0.06837743431350.53362296620110.482856282120.371899837815.2116127189
171.029095521990.9609647219920.01060104003686.74178661698-2.745959795843.238314677020.211160708435-0.4110587645480.1405605999911.42767153313-0.367490444194-0.417999071342-0.179720882772-0.06801318804760.123140536420.709754984466-0.125593533645-0.08081764320060.550754445854-0.05831575047990.42512151345717.949440897256.17353200664.9494362313
181.14530501664-0.0265093600953-0.4042915417092.99062221264-0.6610137673492.398591676730.152082144888-0.1911375603180.004141712806020.799660111951-0.134413268318-0.0780690574363-0.0367095527895-0.0771709731324-0.02966458252490.586396525184-0.0948762398947-0.06862501278430.45010823593-0.0498430395240.3803762846549.8637469538846.835175462.1527292063
194.85645289802-1.043627958910.1260945035373.18841387945-1.003157880842.651734098440.0988231403605-1.133220854660.2962647206420.941408455952-0.04597715122780.04175777315050.04651791533460.204166827565-0.001104065531681.13028273573-0.195032527713-0.05607484605680.751041061507-0.06569051069610.4583051071865.3929014398638.325224236281.3853387469
201.306331551650.403596297846-0.02093021234953.12531003341-0.3854327576822.285619008220.169417685164-0.478561343899-0.1527422765670.590816622446-0.08306093404850.1991033907790.339323721953-0.104855946899-0.02221325439190.801907727355-0.100825173726-0.1136060561530.629071581052-0.01800254998020.4173829540449.2113927197839.466221632373.1271469234
215.96848320295-2.856075217856.363883979039.871902973273.67669213922.00786937506-0.03455969941980.6487488794310.469608711885-0.4244652534020.030640643867-0.962172884293-0.3903985914650.62978525819-0.1050933765460.652244799121-0.119085071114-0.03650263240470.469081466736-0.01382921486040.62989556116219.852003542664.196403809549.0536098827
220.8346160031491.93355737693-0.003724263349564.227908935170.3459362267840.8557471792520.226747069678-0.286676778752-0.1265608156151.0933146035-0.277994201015-0.2783818796980.09116911224980.01052447537670.04496145928180.837530279996-0.0185729707968-0.01749882035020.5119789191260.05465385541790.49551996172353.07934592540.24537236696172.1679397626
232.022888635941.210429969650.3198341217381.909013443840.2009670520751.324854693420.0658273875864-0.1371461770450.03494754088810.195932510612-0.020950583955-0.0252814126881-0.35212313580.10206167215-0.07272474561310.870947197825-0.0388827307-0.06151631810530.4736141081920.0641617361240.49766014481761.044790045613.177734409868.3514786817
243.371479774563.055770291180.7453783426915.391354271172.244218715511.171492656380.453997921441-1.01205305614-0.5425888833251.16710414769-0.27588603058-0.895519817822-0.3541803141570.0753626071422-0.1975436282441.21019574495-0.200103597405-0.2519946635620.7925098974480.161656299720.59736771481777.234280051720.505209732582.1445539909
251.147193641511.45547342050.2162217062664.26012194031.512390888712.37859753110.1136387986-0.1365073213680.1183379240.277753570857-0.2544741204710.187748349231-0.04528736418630.02024612735720.09601921227550.6317061064730.0363462879509-0.02143763009210.4779026011910.06335703395530.42767763104754.75249257257.2134620806368.7454790358
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 17 )AA1 - 171 - 17
22chain 'A' and (resid 18 through 73 )AA18 - 7318 - 73
33chain 'A' and (resid 74 through 118 )AA74 - 11874 - 118
44chain 'A' and (resid 119 through 143 )AA119 - 143119 - 143
55chain 'A' and (resid 144 through 166 )AA144 - 166144 - 166
66chain 'A' and (resid 167 through 223 )AA167 - 223167 - 223
77chain 'B' and (resid 1 through 94 )BB1 - 941 - 94
88chain 'B' and (resid 95 through 133 )BB95 - 13395 - 133
99chain 'B' and (resid 134 through 213 )BB134 - 213134 - 213
1010chain 'C' and (resid 1 through 118 )CC1 - 1181 - 118
1111chain 'C' and (resid 119 through 184 )CC119 - 184119 - 179
1212chain 'C' and (resid 185 through 200 )CC185 - 200180 - 195
1313chain 'C' and (resid 201 through 224 )CC201 - 224196 - 219
1414chain 'D' and (resid 1 through 110 )DD1 - 1101 - 110
1515chain 'D' and (resid 111 through 177 )DD111 - 177111 - 177
1616chain 'D' and (resid 178 through 213 )DD178 - 213178 - 213
1717chain 'E' and (resid 321 through 358 )EE321 - 3581 - 38
1818chain 'E' and (resid 359 through 442 )EE359 - 44239 - 122
1919chain 'E' and (resid 443 through 479 )EE443 - 479123 - 159
2020chain 'E' and (resid 480 through 523 )EE480 - 523160 - 203
2121chain 'E' and (resid 524 through 534 )EE524 - 534204 - 214
2222chain 'F' and (resid 321 through 373 )FL321 - 3731 - 53
2323chain 'F' and (resid 374 through 459 )FL374 - 45954 - 139
2424chain 'F' and (resid 460 through 494 )FL460 - 494140 - 174
2525chain 'F' and (resid 495 through 534 )FL495 - 534175 - 214

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