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- PDB-7qf1: Crystal structure of the SARS-CoV-2 RBD in complex with the human... -

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Basic information

Entry
Database: PDB / ID: 7qf1
TitleCrystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264
Components
  • CV2.6264 heavy chain
  • CV2.6264 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / neutralization / antibody / coronavirus
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / 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 / fusion of virus membrane with host plasma membrane / 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 / 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 / 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 ...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
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
AuthorsFernandez, I. / Pederzoli, R. / Rey, F.A.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: J Exp Med / Year: 2022
Title: Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
Authors: Cyril Planchais / Ignacio Fernández / Timothée Bruel / Guilherme Dias de Melo / Matthieu Prot / Maxime Beretta / Pablo Guardado-Calvo / Jérémy Dufloo / Luis M Molinos-Albert / Marija ...Authors: Cyril Planchais / Ignacio Fernández / Timothée Bruel / Guilherme Dias de Melo / Matthieu Prot / Maxime Beretta / Pablo Guardado-Calvo / Jérémy Dufloo / Luis M Molinos-Albert / Marija Backovic / Jeanne Chiaravalli / Emilie Giraud / Benjamin Vesin / Laurine Conquet / Ludivine Grzelak / Delphine Planas / Isabelle Staropoli / Florence Guivel-Benhassine / Thierry Hieu / Mikaël Boullé / Minerva Cervantes-Gonzalez / Marie-Noëlle Ungeheuer / Pierre Charneau / Sylvie van der Werf / Fabrice Agou / / / Jordan D Dimitrov / Etienne Simon-Lorière / Hervé Bourhy / Xavier Montagutelli / Félix A Rey / Olivier Schwartz / Hugo Mouquet /
Abstract: Memory B-cell and antibody responses to the SARS-CoV-2 spike protein contribute to long-term immune protection against severe COVID-19, which can also be prevented by antibody-based interventions. ...Memory B-cell and antibody responses to the SARS-CoV-2 spike protein contribute to long-term immune protection against severe COVID-19, which can also be prevented by antibody-based interventions. Here, wide SARS-CoV-2 immunoprofiling in Wuhan COVID-19 convalescents combining serological, cellular, and monoclonal antibody explorations revealed humoral immunity coordination. Detailed characterization of a hundred SARS-CoV-2 spike memory B-cell monoclonal antibodies uncovered diversity in their repertoire and antiviral functions. The latter were influenced by the targeted spike region with strong Fc-dependent effectors to the S2 subunit and potent neutralizers to the receptor-binding domain. Amongst those, Cv2.1169 and Cv2.3194 antibodies cross-neutralized SARS-CoV-2 variants of concern, including Omicron BA.1 and BA.2. Cv2.1169, isolated from a mucosa-derived IgA memory B cell demonstrated potency boost as IgA dimers and therapeutic efficacy as IgG antibodies in animal models. Structural data provided mechanistic clues to Cv2.1169 potency and breadth. Thus, potent broadly neutralizing IgA antibodies elicited in mucosal tissues can stem SARS-CoV-2 infection, and Cv2.1169 and Cv2.3194 are prime candidates for COVID-19 prevention and treatment.
History
DepositionDec 3, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 18, 2022Provider: repository / Type: Initial release
Revision 1.1Jun 28, 2023Group: 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.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Feb 7, 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: Spike protein S1
F: Spike protein S1
B: CV2.6264 light chain
C: CV2.6264 heavy chain
D: CV2.6264 light chain
E: CV2.6264 heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)144,1388
Polymers143,5346
Non-polymers6052
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)67.163, 191.319, 220.928
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 334 through 380 or resid 385 through 528))
21chain F
12(chain B and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))
22(chain D and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))
13(chain C and (resid 3 through 76 or resid 78...
23(chain E and (resid 3 through 76 or resid 78...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 334 through 380 or resid 385 through 528))A334 - 380
121(chain A and (resid 334 through 380 or resid 385 through 528))A385 - 528
211chain FF334 - 528
112(chain B and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))B1 - 3
122(chain B and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))B5 - 75
132(chain B and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))B77 - 213
212(chain D and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))D1 - 3
222(chain D and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))D5 - 75
232(chain D and (resid 1 through 3 or resid 5 through 75 or resid 77 through 213))D77 - 213
113(chain C and (resid 3 through 76 or resid 78...C3 - 76
123(chain C and (resid 3 through 76 or resid 78...C78 - 83
133(chain C and (resid 3 through 76 or resid 78...C85 - 13
143(chain C and (resid 3 through 76 or resid 78...C145 - 187
153(chain C and (resid 3 through 76 or resid 78...C189 - 225
213(chain E and (resid 3 through 76 or resid 78...E3 - 76
223(chain E and (resid 3 through 76 or resid 78...E78 - 83
233(chain E and (resid 3 through 76 or resid 78...E85 - 138
243(chain E and (resid 3 through 76 or resid 78...E145 - 187
253(chain E and (resid 3 through 76 or resid 78...E189 - 225

NCS ensembles :
ID
1
2
3

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Components

#1: Protein Spike protein S1


Mass: 23068.695 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: Drosophila melanogaster (fruit fly) / References: UniProt: P0DTC2
#2: Antibody CV2.6264 light chain


Mass: 23282.717 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody CV2.6264 heavy chain


Mass: 25415.420 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 383.349 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-Manp]{}}LINUCSPDB-CARE
#5: 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.: 1 / 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
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: 4.94 Å3/Da / Density % sol: 75.12 %
Crystal growTemperature: 296 K / Method: vapor diffusion, sitting drop / Details: 0.1 M NaAc, 7% PEG 6000, 30% ethanol

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.9801 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jul 24, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9801 Å / Relative weight: 1
ReflectionResolution: 2.8→49.21 Å / Num. obs: 71215 / % possible obs: 100 % / Redundancy: 27.4 % / CC1/2: 0.996 / Rmerge(I) obs: 0.445 / Rpim(I) all: 0.086 / Rrim(I) all: 0.453 / Net I/σ(I): 10.4 / Num. measured all: 1950768
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.8-2.86286.7712588544990.4241.2986.8940.7100
13.43-49.2121.30.0471578874210.010.04849.998.2

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
Aimless0.2.7data scaling
PDB_EXTRACT3.27data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6M0J, 5VAG

6m0j

5vag


Resolution: 2.8→48.21 Å / SU ML: 0.41 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 32.44 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.254 3591 5.06 %
Rwork0.2286 67444 -
obs0.2299 71035 99.85 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 246.51 Å2 / Biso mean: 91.6965 Å2 / Biso min: 30 Å2
Refinement stepCycle: final / Resolution: 2.8→48.21 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9632 0 39 0 9671
Biso mean--119.93 --
Num. residues----1248
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A1802X-RAY DIFFRACTION9.345TORSIONAL
12F1802X-RAY DIFFRACTION9.345TORSIONAL
21B1918X-RAY DIFFRACTION9.345TORSIONAL
22D1918X-RAY DIFFRACTION9.345TORSIONAL
31C1860X-RAY DIFFRACTION9.345TORSIONAL
32E1860X-RAY DIFFRACTION9.345TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 26 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
2.8-2.840.42661410.448225222663
2.84-2.880.45281210.415425592680
2.88-2.920.41081300.397725792709
2.92-2.960.40011170.392225742691
2.96-3.010.41191330.36825392672
3.01-3.060.34641400.361625972737
3.06-3.110.35511260.357825442670
3.11-3.170.31871230.337325872710
3.17-3.230.37041410.3125652706
3.23-3.290.33961590.299325092668
3.29-3.360.35971520.288326022754
3.36-3.440.30731350.277325412676
3.44-3.530.27791590.262725672726
3.53-3.620.30931430.257525632706
3.62-3.730.28161350.250826012736
3.73-3.850.26141480.240525512699
3.85-3.990.24461380.208226072745
3.99-4.150.25191400.202925632703
4.15-4.340.20021400.190926102750
4.34-4.560.19031300.169225992729
4.56-4.850.17471400.162226242764
4.85-5.220.18221330.158826302763
5.22-5.750.18541350.167926352770
5.75-6.580.21791350.190526632798
6.58-8.280.23651480.195826922840
8.28-48.210.20931490.193728212970
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)
13.8967-4.1575-0.31218.43440.07424.6459-0.2015-0.08390.8871-0.31550.4026-0.9512-0.244-0.0727-0.09350.5531-0.1041-0.15870.47680.09181.1131-44.969554.4062-66.3027
23.0509-3.1241-1.05453.49852.43397.01920.12091.26411.5753-0.7765-1.2286-1.3785-0.51980.27061.21361.20290.1545-0.03061.2370.23631.0817-52.520660.4083-76.678
33.0159-4.7952-1.2697.78132.25911.60150.12241.00450.514-1.3341-0.18020.5428-0.2698-0.12480.2521.0454-0.12-0.31990.98680.08031.0581-58.267553.8055-76.7156
41.0780.2333-0.23692.9634-3.01243.2972-0.14790.3569-1.6725-0.1960.07030.82750.8689-0.21230.00440.6834-0.1139-0.14530.60240.10031.5258-51.024740.6808-67.5224
51.9349-1.67540.90555.2564-2.36956.38850.1961-0.2975-0.7388-0.1603-0.04980.37290.0316-0.0416-0.12390.5599-0.04750.00150.50.07991.1613-46.449941.228-64.7203
61.7990.16790.23219.8055-6.19043.85170.4194-0.2195-0.54030.8051-0.4016-0.1172-0.27080.39270.05010.69530.0340.02530.6830.28521.4801-40.360127.8018-50.1675
77.6437-2.7884-2.89966.27533.45644.977-0.44330.0557-0.24770.2953-0.00710.27730.4396-0.2010.45570.4838-0.0725-0.040.57150.0760.9094-48.810748.3988-70.7912
85.4153-1.6266-1.76134.59290.80654.66520.8385-0.0840.29221.6765-0.9604-0.1047-0.1785-0.15770.14561.1649-0.27010.08930.81270.18881.3147-36.483338.5628-40.5251
97.12090.7533-5.65569.84540.50514.6541-0.5747-1.0128-0.74872.0910.7966-0.97751.2230.5634-0.34812.0201-0.0642-0.352.09020.46641.672-33.399734.8161-27.1072
104.41520.9745-5.54211.3557-1.09096.8897-1.44780.47390.82960.57741.1848-0.04471.6329-0.76080.40631.7254-0.1559-0.26351.68480.42161.3837-29.849142.2749-26.0016
112.6691-1.83452.72564.7995-1.28132.8824-0.0552-0.1338-0.19881.8601-0.1421-1.2046-1.06241.11580.2061.2709-0.2075-0.02030.98640.41291.6655-28.382247.0852-40.3793
122.7365-3.11362.77339.3229-6.53916.49120.0481-0.09870.97861.45960.0844-0.7886-2.11181.4268-0.03631.1996-0.3081-0.20280.8887-0.1251.214-26.20856.7461-41.8989
135.1881-3.00251.37215.5804-2.6556.15950.2814-0.8596-0.54421.6765-0.1058-1.2057-0.53880.2818-0.20351.3181-0.2649-0.25650.88580.27291.2397-27.844646.0894-38.2214
143.1801-1.62871.95622.3273-3.37166.77440.1408-0.2435-0.66421.1725-0.4909-0.0199-0.13070.25380.18550.7749-0.15130.01420.68290.12051.2419-30.58450.8766-51.0093
151.33251.25930.55449.3124-6.46417.64510.3409-0.2884-0.6538-0.18160.19731.19210.3857-0.4324-0.52890.4912-0.06320.00490.5937-0.0791.0596-31.414659.9938-63.1828
166.7712-0.9981-0.91294.83690.84824.40260.1469-0.807-1.01610.8209-0.3048-0.8957-0.81331.48480.30121.0878-0.1434-0.23020.83040.32441.643-23.192542.825-43.9964
171.65830.59231.05780.20270.42393.92191.6276-1.22111.62-1.3385-1.0143-0.89450.659-1.0506-0.74822.3863-0.02220.611.6743-0.02841.3121-45.566543.0789-23.0585
183.4111-2.8475-1.21115.81510.02692.34970.0005-0.2063-0.93720.194-0.0984-0.0039-0.01180.07360.11790.4566-0.0216-0.00180.64190.31151.2581-34.50272.2179-41.9977
195.4477-3.24410.82861.1254-0.2107-0.28590.0612-0.0577-0.4977-0.00250.14820.45640.0458-0.1414-0.21760.5902-0.00120.07770.61980.25041.3034-10.5772-3.4878-42.6891
208.101-0.1314-0.0963.4418-1.4572.00810.0183-0.30910.3349-0.1997-0.00970.57270.0957-0.1215-0.00070.55620.08820.02870.49010.19861.26532.629-8.416-41.0761
218.23681.97667.32866.09064.39018.07360.14431.0904-0.1975-0.53860.1956-0.8342-0.51220.2838-0.28950.54150.07480.14550.7650.34421.0086-19.84414.2594-63.9069
227.81780.69020.32174.65791.75913.81570.13890.01110.397-0.1962-0.518-0.3187-0.4409-0.20130.27820.53430.05320.08550.65540.36881.2593-30.770516.4259-57.1817
237.7848-0.78260.95485.2941-1.24496.06960.56671.25541.4917-0.1688-0.5128-0.9017-0.27070.09490.06210.58630.09630.11250.71070.39211.2142-26.446222.1557-60.8125
246.5413-4.04950.52072.5007-0.53722.00620.10180.18261.01630.5185-0.108-0.0769-0.52030.1181-0.10060.6375-0.0190.02740.67030.41481.2437-20.195116.0933-54.9897
252.9423-1.16160.00774.062-0.21052.97680.14331.0169-0.1725-0.0694-0.40790.3871-0.0394-0.43140.17050.56790.01230.010.76750.41051.2488-34.935511.4206-55.1132
265.4134-2.41260.36683.69671.36181.57560.10991.04870.4727-0.6050.08950.90510.0418-0.0399-0.12970.4468-0.0128-0.01540.66290.15441.04122.3536-2.9579-55.7799
273.7355-0.6131.07246.3581-0.12992.4150.23071.01990.1448-0.6448-0.30430.61990.20030.2727-0.00970.61250.1228-0.20130.8640.13881.2683-6.4555-7.5646-59.6179
283.77881.3383-1.52120.5122-0.21162.7899-0.3902-0.40320.0519-0.23850.70480.1519-0.40110.7829-0.21850.7515-0.04590.09540.6480.29831.7116-2.63655.0034-50.5818
292.2584-0.11140.13031.9932-2.4626.05310.61750.963-0.191-0.4423-0.0515-0.21060.52120.1585-0.42790.4399-0.0014-0.040.5994-0.05121.3169-0.1592-13.8225-54.6457
305.82811.3019-0.25037.37341.88023.81430.09451.7238-1.0566-1.25950.16572.2727-0.2235-0.5121-0.24830.68440.1195-0.04620.93020.17950.79551.5253-7.8783-63.9308
314.96152.5626-5.95396.2038-5.00259.0895-0.06350.8817-0.07510.13560.2273-0.0912-0.448-0.8359-0.21410.51480.0011-0.04780.5753-0.04570.7876-22.91875.5079-90.8189
326.15871.6775-3.98412.658-1.91376.95590.02870.17180.6628-0.13660.48060.8254-0.3323-0.8445-0.51220.41170.0336-0.04420.43-0.03260.9023-25.674374.3344-81.4732
330.74611.70040.16174.92221.83134.79040.4433-0.21170.807-0.322-0.022-0.0678-0.56450.2444-0.35880.4656-0.03980.03190.4166-0.05260.9171-17.395777.3249-80.3868
341.5841-0.3597-0.90070.49231.58293.48610.07060.23960.0118-0.0990.1415-0.12580.08080.2368-0.27020.51170.02540.0110.5464-0.07850.9342-14.004266.2779-96.737
351.7246-1.4999-1.50663.89164.20944.592-0.11430.35970.00120.20340.46050.3478-0.13110.0126-0.32620.58320.03920.00580.8096-0.13590.9549-13.245160.4334-112.2641
363.4045-0.40422.1282.13610.08354.2169-0.1540.76230.4353-0.2577-0.0188-0.44670.04540.2652-0.49030.5552-0.02850.05681.2253-0.2750.2168-18.427752.4608-113.5296
372.0204-0.04220.63397.38461.63543.21280.11390.3718-0.0915-0.472-0.60440.35640.0037-0.10680.46590.45120.01860.09060.7483-0.14960.5807-11.383757.5221-115.7019
385.5477-0.0395-0.84176.69483.4345.9961-0.273-0.293-0.9460.54170.8573-1.72930.64070.8619-0.4640.50650.0623-0.06310.47840.00850.6225-9.106550.2655-77.4185
392.9657-1.348-3.05552.7870.65024.47720.165-0.34060.41280.21390.18590.05810.4329-0.1868-0.24320.493-0.0356-0.04060.4538-0.13940.6293-17.607158.4822-71.826
409.14074.29154.76282.54961.7217.5924-0.9421-0.39810.04890.32390.24250.4743-0.0966-0.99070.29950.63620.0092-0.01570.5311-0.01790.6998-17.27750.412-70.453
413.233-2.9346-3.93644.73824.45078.01290.1529-0.2071-1.23670.04630.0871-0.260.6002-0.4648-0.18990.5537-0.0148-0.10370.37170.03770.7994-17.224852.4468-80.8289
425.9338-1.0652-3.24047.42373.02675.94390.4164-0.79451.80840.83250.0655-1.1351-0.2990.2908-0.53850.38250.00290.03950.42690.06390.4633-16.803165.3932-72.1023
433.48950.6354-1.50632.7727-0.97843.69540.11170.1550.00570.0034-0.1264-0.03770.04280.4940.04470.48690.0298-0.00480.755-0.29640.7410.905652.6448-104.7206
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 334 through 358 )A334 - 358
2X-RAY DIFFRACTION2chain 'A' and (resid 359 through 371 )A359 - 371
3X-RAY DIFFRACTION3chain 'A' and (resid 372 through 393 )A372 - 393
4X-RAY DIFFRACTION4chain 'A' and (resid 394 through 421 )A394 - 421
5X-RAY DIFFRACTION5chain 'A' and (resid 422 through 469 )A422 - 469
6X-RAY DIFFRACTION6chain 'A' and (resid 470 through 494 )A470 - 494
7X-RAY DIFFRACTION7chain 'A' and (resid 495 through 527 )A495 - 527
8X-RAY DIFFRACTION8chain 'F' and (resid 334 through 358 )F334 - 358
9X-RAY DIFFRACTION9chain 'F' and (resid 359 through 371 )F359 - 371
10X-RAY DIFFRACTION10chain 'F' and (resid 372 through 393 )F372 - 393
11X-RAY DIFFRACTION11chain 'F' and (resid 394 through 409 )F394 - 409
12X-RAY DIFFRACTION12chain 'F' and (resid 410 through 421 )F410 - 421
13X-RAY DIFFRACTION13chain 'F' and (resid 422 through 442 )F422 - 442
14X-RAY DIFFRACTION14chain 'F' and (resid 443 through 469 )F443 - 469
15X-RAY DIFFRACTION15chain 'F' and (resid 470 through 494 )F470 - 494
16X-RAY DIFFRACTION16chain 'F' and (resid 495 through 516 )F495 - 516
17X-RAY DIFFRACTION17chain 'F' and (resid 517 through 527 )F517 - 527
18X-RAY DIFFRACTION18chain 'B' and (resid 1 through 75 )B1 - 75
19X-RAY DIFFRACTION19chain 'B' and (resid 76 through 163 )B76 - 163
20X-RAY DIFFRACTION20chain 'B' and (resid 164 through 213 )B164 - 213
21X-RAY DIFFRACTION21chain 'C' and (resid 2 through 24 )C2 - 24
22X-RAY DIFFRACTION22chain 'C' and (resid 25 through 60 )C25 - 60
23X-RAY DIFFRACTION23chain 'C' and (resid 61 through 83 )C61 - 83
24X-RAY DIFFRACTION24chain 'C' and (resid 84 through 99 )C84 - 99
25X-RAY DIFFRACTION25chain 'C' and (resid 100 through 122 )C100 - 122
26X-RAY DIFFRACTION26chain 'C' and (resid 123 through 156 )C123 - 156
27X-RAY DIFFRACTION27chain 'C' and (resid 157 through 176 )C157 - 176
28X-RAY DIFFRACTION28chain 'C' and (resid 177 through 186 )C177 - 186
29X-RAY DIFFRACTION29chain 'C' and (resid 187 through 202 )C187 - 202
30X-RAY DIFFRACTION30chain 'C' and (resid 203 through 225 )C203 - 225
31X-RAY DIFFRACTION31chain 'D' and (resid 1 through 18 )D1 - 18
32X-RAY DIFFRACTION32chain 'D' and (resid 19 through 38 )D19 - 38
33X-RAY DIFFRACTION33chain 'D' and (resid 39 through 75 )D39 - 75
34X-RAY DIFFRACTION34chain 'D' and (resid 76 through 128 )D76 - 128
35X-RAY DIFFRACTION35chain 'D' and (resid 129 through 150 )D129 - 150
36X-RAY DIFFRACTION36chain 'D' and (resid 151 through 163 )D151 - 163
37X-RAY DIFFRACTION37chain 'D' and (resid 164 through 213 )D164 - 213
38X-RAY DIFFRACTION38chain 'E' and (resid 2 through 24 )E2 - 24
39X-RAY DIFFRACTION39chain 'E' and (resid 25 through 60 )E25 - 60
40X-RAY DIFFRACTION40chain 'E' and (resid 61 through 83 )E61 - 83
41X-RAY DIFFRACTION41chain 'E' and (resid 84 through 99 )E84 - 99
42X-RAY DIFFRACTION42chain 'E' and (resid 100 through 122 )E100 - 122
43X-RAY DIFFRACTION43chain 'E' and (resid 123 through 225 )E123 - 225

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