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- PDB-8fhy: Crystal structure of the SARS-CoV-2 receptor binding domain in co... -

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Basic information

Entry
Database: PDB / ID: 8fhy
TitleCrystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021
Components
  • (WRAIR-5021 Fab ...) x 2
  • Spike protein S1
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / SARS-CoV-2 / viral protein / immune system / RBD / antibody / nonhuman primate / VIRAL PROTEIN-IMMUNE SYSTEM complex
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 / entry receptor-mediated virion attachment to host cell ...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 / entry receptor-mediated virion attachment to host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / receptor-mediated endocytosis of virus by host cell / membrane fusion / Attachment and Entry / 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 / identical protein binding / membrane / 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
MALONATE ION / Spike glycoprotein
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
Macaca mulatta (Rhesus monkey)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.53 Å
AuthorsSankhala, R.S. / Jensen, J.L. / Joyce, M.G.
Funding support United States, 1items
OrganizationGrant numberCountry
Department of Defense (DOD, United States)W81XWH-18-2-0040 United States
CitationJournal: Nat Commun / Year: 2024
Title: Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques.
Authors: Sankhala, R.S. / Lal, K.G. / Jensen, J.L. / Dussupt, V. / Mendez-Rivera, L. / Bai, H. / Wieczorek, L. / Mayer, S.V. / Zemil, M. / Wagner, D.A. / Townsley, S.M. / Hajduczki, A. / Chang, W.C. ...Authors: Sankhala, R.S. / Lal, K.G. / Jensen, J.L. / Dussupt, V. / Mendez-Rivera, L. / Bai, H. / Wieczorek, L. / Mayer, S.V. / Zemil, M. / Wagner, D.A. / Townsley, S.M. / Hajduczki, A. / Chang, W.C. / Chen, W.H. / Donofrio, G.C. / Jian, N. / King, H.A.D. / Lorang, C.G. / Martinez, E.J. / Rees, P.A. / Peterson, C.E. / Schmidt, F. / Hart, T.J. / Duso, D.K. / Kummer, L.W. / Casey, S.P. / Williams, J.K. / Kannan, S. / Slike, B.M. / Smith, L. / Swafford, I. / Thomas, P.V. / Tran, U. / Currier, J.R. / Bolton, D.L. / Davidson, E. / Doranz, B.J. / Hatziioannou, T. / Bieniasz, P.D. / Paquin-Proulx, D. / Reiley, W.W. / Rolland, M. / Sullivan, N.J. / Vasan, S. / Collins, N.D. / Modjarrad, K. / Gromowski, G.D. / Polonis, V.R. / Michael, N.L. / Krebs, S.J. / Joyce, M.G.
History
DepositionDec 15, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 17, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
I: Spike protein S1
L: WRAIR-5021 Fab Light chain
H: WRAIR-5021 Fab Heavy chain
A: Spike protein S1
B: WRAIR-5021 Fab Light chain
C: WRAIR-5021 Fab Heavy chain
D: Spike protein S1
E: WRAIR-5021 Fab Light chain
F: WRAIR-5021 Fab Heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,44234
Polymers209,7429
Non-polymers2,70025
Water8,701483
1
I: Spike protein S1
L: WRAIR-5021 Fab Light chain
H: WRAIR-5021 Fab Heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,5969
Polymers69,9143
Non-polymers6826
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7270 Å2
ΔGint-26 kcal/mol
Surface area26710 Å2
MethodPISA
2
A: Spike protein S1
B: WRAIR-5021 Fab Light chain
C: WRAIR-5021 Fab Heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,78011
Polymers69,9143
Non-polymers8668
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7790 Å2
ΔGint-18 kcal/mol
Surface area27430 Å2
MethodPISA
3
D: Spike protein S1
E: WRAIR-5021 Fab Light chain
F: WRAIR-5021 Fab Heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,06614
Polymers69,9143
Non-polymers1,15211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8920 Å2
ΔGint-20 kcal/mol
Surface area26730 Å2
MethodPISA
Unit cell
Length a, b, c (Å)118.919, 84.127, 119.859
Angle α, β, γ (deg.)90.00, 113.68, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Antibody , 2 types, 6 molecules LBEHCF

#2: Antibody WRAIR-5021 Fab Light chain


Mass: 23356.881 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Macaca mulatta (Rhesus monkey) / Cell line (production host): Expi293 / Production host: Homo sapiens (human)
#3: Antibody WRAIR-5021 Fab Heavy chain


Mass: 23483.328 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Macaca mulatta (Rhesus monkey) / Cell line (production host): Expi293 / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 6 molecules IAD

#1: Protein Spike protein S1


Mass: 23073.766 Da / Num. of mol.: 3 / Fragment: receptor binding domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Cell line (production host): Expi293 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2
#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.: 3
Source method: isolated from a genetically manipulated source
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

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Non-polymers , 3 types, 505 molecules

#4: Chemical...
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 21 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical ChemComp-MLI / MALONATE ION


Mass: 102.046 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H2O4
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 483 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.66 Å3/Da / Density % sol: 53.74 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3,350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 16, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.53→109.8 Å / Num. obs: 71266 / % possible obs: 97.8 % / Redundancy: 6.6 % / CC1/2: 0.996 / Net I/σ(I): 11.4
Reflection shellResolution: 2.53→2.58 Å / Num. unique obs: 3598 / CC1/2: 0.625

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.53→99.94 Å / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 27.61 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2562 3875 2.8 %
Rwork0.1953 --
obs0.197 71225 97.02 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.53→99.94 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14499 0 175 483 15157
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00315019
X-RAY DIFFRACTIONf_angle_d0.55420415
X-RAY DIFFRACTIONf_dihedral_angle_d5.572105
X-RAY DIFFRACTIONf_chiral_restr0.0452264
X-RAY DIFFRACTIONf_plane_restr0.0042616
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.53-2.560.3498830.3293087X-RAY DIFFRACTION61
2.56-2.590.3671360.30174270X-RAY DIFFRACTION87
2.59-2.620.35031330.29024557X-RAY DIFFRACTION92
2.62-2.660.32421320.27694749X-RAY DIFFRACTION95
2.66-2.70.32351460.26914898X-RAY DIFFRACTION99
2.7-2.740.33231370.25554878X-RAY DIFFRACTION99
2.74-2.780.26581390.2484944X-RAY DIFFRACTION99
2.78-2.830.31311360.24114923X-RAY DIFFRACTION100
2.83-2.880.29521450.23644935X-RAY DIFFRACTION99
2.88-2.930.33861440.23774919X-RAY DIFFRACTION99
2.93-2.980.29531460.2324911X-RAY DIFFRACTION99
2.98-3.040.28251450.22574932X-RAY DIFFRACTION99
3.04-3.110.28681420.22464884X-RAY DIFFRACTION99
3.11-3.180.30131480.22114920X-RAY DIFFRACTION99
3.18-3.260.32451430.21824900X-RAY DIFFRACTION99
3.26-3.350.27391420.20284885X-RAY DIFFRACTION99
3.35-3.450.31561300.20194913X-RAY DIFFRACTION99
3.45-3.560.25191500.19384896X-RAY DIFFRACTION99
3.56-3.690.24731480.19114938X-RAY DIFFRACTION100
3.69-3.840.24671390.17534982X-RAY DIFFRACTION100
3.84-4.010.25191440.17384876X-RAY DIFFRACTION99
4.01-4.220.24161350.16054908X-RAY DIFFRACTION99
4.22-4.490.1821370.14574876X-RAY DIFFRACTION99
4.49-4.830.21371440.13944938X-RAY DIFFRACTION99
4.83-5.320.1951410.15284842X-RAY DIFFRACTION98
5.32-6.090.1931370.1854952X-RAY DIFFRACTION100
6.09-7.670.26881410.2184936X-RAY DIFFRACTION100
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)
10.77980.0560.2422.2532-0.51484.2618-0.0246-0.71970.22270.427-0.286-0.2407-0.00080.51990.40170.3914-0.08390.01050.8166-0.05990.3801-19.74-16.23724.742
22.71540.9622-0.02464.3471-2.52745.16870.0212-0.4975-0.4479-0.02750.04880.15060.11130.23220.00840.35380.03170.07030.5923-0.00910.3929-26.951-23.41722.517
32.0614-0.53910.16321.5878-1.03372.8123-0.01840.02780.1091-0.0101-0.001-0.0155-0.09830.18290.03490.3013-0.03610.03540.3891-0.01190.3854-28.653-14.3075.205
45.7435-1.77572.0183.7778-2.886.23110.56950.2726-0.7657-0.3377-0.61160.10410.84220.7360.0510.41810.00340.00740.66870.04030.437-18.652-25.09124.457
55.37712.1852-0.88711.27660.29673.334-0.42540.7982-1.3263-0.19860.335-0.16010.6302-0.4313-0.14620.44290.07930.01820.3832-0.05630.6315-48.91-29.552-14.958
63.96770.74670.54990.04720.22910.93530.1064-0.2015-0.58610.00540.00620.02950.0178-0.0101-0.17510.3933-0.0240.01240.38730.08540.4494-54.453-22.493-11.127
74.8692-2.07075.51075.3995-1.34656.44920.51820.66430.5441-0.422-0.7476-0.4421.74930.3149-0.27770.4642-0.03420.08260.5310.03990.5402-72.995-25.427-21.846
83.5160.59051.0833.7238-0.11411.77920.03030.1929-0.1113-0.1102-0.05050.16250.0637-0.3006-0.03470.3297-0.04740.12320.5371-0.02050.3638-78.977-20.192-22.344
92.7836-0.43252.1050.6715-0.39221.7536-0.08160.0140.4096-0.02540.04180.0519-0.2618-0.23180.05160.4070.01840.06380.45520.04650.3931-46.197-3.064-9.852
106.475-1.65252.07251.0148-1.10141.9879-0.22120.47450.7495-0.22880.0842-0.2873-0.31590.24030.33680.3866-0.04670.03150.45250.14270.4762-42.2040.824-15.557
112.7178-0.91530.96720.86790.42192.1305-0.08760.0863-0.0130.45230.17620.1928-0.29040.1312-0.04160.3459-0.02960.01540.52310.09920.3484-52.019-5.749-10.897
122.7614-1.50881.46081.5747-1.63967.90991.2368-0.4219-0.42610.2559-0.4602-0.23450.61190.4312-0.84950.5045-0.0032-0.02130.4876-0.08030.5084-87.035-16.127-11.356
136.07940.92030.47653.21282.05034.12840.252-0.68010.35650.2898-0.34220.4091-0.58620.0629-0.0770.50470.01740.05390.38790.01980.3663-75.649-7.854-9.048
143.49910.659-0.20433.1613-0.18441.78650.1274-0.47360.07010.3709-0.15410.17860.0021-0.1441-0.01990.3167-0.0290.03780.35960.00640.307-78.977-9.363-7.757
153.1574-1.9974-1.73291.86481.0194.694-0.04870.20840.3217-0.3905-0.2802-0.1648-0.4849-0.3811-0.11930.4716-0.06250.09740.52270.05110.48718.854-20.806-75.083
162.7205-1.9566-1.80033.26073.11383.90610.22310.2573-0.1937-0.5589-0.16830.0529-0.0962-0.13450.01510.39780.0701-0.01290.4472-0.00060.27641.826-24.484-72.793
170.1633-0.25320.09273.33213.67924.96330.0466-0.2436-0.4153-0.11130.4194-0.50770.24250.5626-0.37140.4270.0170.02190.6323-0.06740.453913-33.418-68.018
183.5937-0.3544-0.10423.78892.01831.0623-0.017-0.4404-0.21370.31490.134-0.3096-0.05510.0667-0.10490.3491-0.0749-0.01270.4408-0.00970.38390.526-25.503-57.581
194.3071-1.5036-1.05792.48691.32364.77940.16330.04870.27310.0223-0.1211-0.1321-0.3165-0.1119-0.04510.3784-0.02780.00870.36410.03440.29261.192-19.483-57.995
201.490.0251-2.07232.86242.62115.27690.2810.18770.0931-0.2238-0.0440.0147-0.1483-0.3011-0.17760.33430.0206-0.07340.4270.00640.3479-15.465-16.209-53.223
212.23140.0384-1.31922.3207-0.25543.2369-0.038-0.18260.05930.03350.2431-0.3077-0.26570.529-0.04040.3522-0.03330.05270.3801-0.00240.41157.042-18.612-57.185
224.00242.42412.83932.50871.39342.51430.6088-0.3754-1.61840.4485-0.02930.29850.1724-0.2311-0.65750.47460.03790.09950.62150.06490.60694.991-37.977-79.801
238.9639-5.17055.11043.3697-3.43293.50290.0193-0.741-0.33350.45120.17380.17560.1631-0.5922-0.21240.7535-0.07080.05420.53820.02110.3048-15.579-27.268-24.797
244.9622-3.52443.10883.6265-1.58723.23350.3538-0.6875-0.73160.06530.34120.73130.6435-0.5381-0.1950.6703-0.009-0.05560.32440.01620.4938-9.487-35.575-28.137
252.3021-1.16621.32252.5655-0.27073.68880.09080.2623-0.0933-0.07850.04110.15130.45050.0704-0.1240.4603-0.029-0.00370.3214-0.01810.2489-8.389-27.692-34.527
261.00510.13270.26911.02960.06321.87130.1163-0.0232-0.10370.17050.0404-0.16960.27420.159-0.14270.28660.0230.09580.26120.01010.3164-3.458-21.75-9.059
275.20640.8704-1.18673.27230.07388.1163-0.00830.4571-0.4635-0.0058-0.8054-0.05130.6534-0.89970.13340.35060.06830.00270.4452-0.01530.3919-7.132-27.488-2.691
281.78360.1379-0.45182.0340.51554.7115-0.04540.0106-0.0382-0.1971-0.1030.232-0.2605-0.10690.00250.32950.02-0.02470.32690.02010.2961-3.921-20.069-0.58
292.53930.5546-1.42825.83232.81366.3013-0.173-0.26380.03570.5743-0.15190.63970.73110.0371-0.02010.43360.0761-0.00210.40810.04420.3097-4.114-26.8058.536
302.05310.42010.10522.08721.40074.1636-0.1304-0.07260.1903-0.00540.072-0.0154-0.17540.04940.02970.43930.0133-0.02870.3265-0.01140.3687-8.631-5.056-33.279
311.00371.04081.68091.65380.8464.1581-0.06490.07810.2219-0.08020.1194-0.0391-0.21840.00660.03070.41750.03920.02140.3753-0.00840.3577-6.333-4.284-28.591
326.1743-1.0808-0.51771.3932.38694.4154-0.3585-0.5613-0.24410.08170.3401-0.561.01130.245-0.2230.55320.08410.0450.57680.01850.52258.987-20.936.619
337.1728-5.16381.11098.2015-2.54515.14830.1073-0.12630.1150.4010.0878-0.1682-0.19210.2557-0.08490.35790.00430.04920.2724-0.08460.31366.048-14.391-0.993
347.7691-2.83881.60756.8584-1.75986.9020.55110.83560.3454-0.2178-0.5217-0.55720.37710.2452-0.19770.3921-0.18580.19790.4162-0.07420.278610.149-10.489-9.203
354.3169-1.67560.3432.881-0.35982.30080.2766-0.03540.194-0.2386-0.2648-0.2788-0.07220.3702-0.03260.4519-0.04380.03770.3778-0.00610.336810.543-14.412-2.549
367.6591.75380.2530.74330.05411.0260.48660.3797-0.055-0.1153-0.64710.3537-0.2021-0.364-0.06580.42040.04460.02840.7913-0.09420.6061-91.512-11.117-46.786
374.18741.45012.34192.59391.031.32210.2437-0.2332-0.05130.1798-0.30510.31990.3766-0.36550.01960.3587-0.0697-0.02650.5802-0.03810.4708-90.807-17.786-48.215
384.32420.5602-1.85383.3361-0.84241.17190.2396-0.1229-0.3064-0.0504-0.15430.5938-0.1382-0.03970.10570.7134-0.198-0.14320.6568-0.01210.6004-93.216-28.268-51.157
392.06780.30461.01524.0768-0.05143.01-0.002-0.2324-0.5647-0.20630.103-0.08960.7397-0.4519-0.13710.4154-0.05730.01880.54650.00750.3861-78.004-20.327-49.814
401.65990.20340.38461.3225-0.28732.867-0.2083-0.18770.02060.49390.1279-0.0794-0.23150.0059-0.01220.4102-0.04390.0860.5767-0.05530.5276-68.877-9.419-47.054
414.16320.5832-1.571.0994-1.00142.0605-0.0582-0.1806-0.35040.35780.1371-0.02850.1422-0.0008-0.04510.437-0.08130.00720.44220.07610.4599-66.007-18.019-36.222
429.9417-2.19454.76382.1332-1.69292.7609-0.084-0.25421.7523-0.0205-0.3228-0.5625-0.21060.28760.38160.3951-0.07880.07520.4231-0.07060.5544-57.536-9.694-37.854
430.85180.3560.96763.6838-2.75375.462-0.06610.02060.43-0.830.0573-0.37830.1158-0.6294-0.19690.54670.00990.05090.6866-0.08350.4769-70.781-8.205-59.1
441.81141.7951-0.75942.8388-0.41094.85020.090.2302-0.0015-0.06170.17910.05620.5061-1.1479-0.17820.4773-0.153-0.13090.78830.05140.6685-84.689-18.85-49.363
450.26990.4342-0.99254.05271.12675.89120.3745-2.1593-1.0126-0.492-0.0255-0.35580.3208-1.0145-0.36250.5932-0.1934-0.07861.22020.2960.7486-99.519-28.361-39.697
460.3264-0.8707-0.94522.482.83243.2669-0.0707-0.04520.2808-0.06210.4183-0.4155-0.17961.2019-0.64140.47190.0707-0.07360.54340.02330.4737-39.829-28.564-51.664
472.4841-0.0737-0.6143.4323.09075.29970.0388-0.0594-0.23150.2167-0.10950.08480.5189-0.09040.03490.3342-0.0167-0.00890.27910.01950.4158-51.072-28.087-53.608
481.7644-1.0323-0.86730.98321.06411.0566-0.18570.08560.0226-0.0610.04830.06420.1117-0.03620.03820.40310.0232-0.0330.3361-0.03030.3926-41.766-26.898-57.307
494.6204-0.3677-0.79752.0584-0.64272.23390.2767-0.0625-0.0197-0.0825-0.18020.08380.06230.0149-0.09930.3991-0.0221-0.05040.3417-0.03410.2624-21.323-22.421-74.942
503.3321.059-0.73612.91380.45591.8230.3680.19530.16260.0418-0.09940.08790.09110.1986-0.13090.35190.0597-0.04250.4108-0.00090.346-25.82-21.517-74.945
518.22294.6701-1.42027.3648-2.27982.9133-0.25660.2562-0.3189-0.7746-0.0047-0.50770.30020.11560.29210.42070.04630.03640.4736-0.03720.351-16.16-29.388-77.652
524.15110.5692-1.34181.8906-0.26753.57560.0521-0.12850.4356-0.01480.1614-0.1608-0.0504-0.0411-0.2210.2842-0.00230.02460.2169-0.02630.4177-47.825-4.864-52.864
532.7537-0.0739-2.95990.98580.46143.28960.3357-0.10710.3630.0385-0.04060.1647-0.2846-0.0821-0.20490.3037-0.02130.02920.2789-0.02440.4663-42.934-4.66-54.508
548.75545.49282.18033.56212.16975.9979-0.30691.2657-2.2176-0.88020.3875-0.92390.36510.3331-0.62380.69490.05180.00330.6475-0.19790.927-23.889-21.999-86.958
557.61491.40841.71523.74681.27214.6202-0.31120.21210.1919-1.04680.18940.5343-0.3643-0.15950.15470.451-0.0043-0.04270.34390.1580.4073-32.36-12.059-80.243
563.3256-0.1555-1.452.8891-1.05783.1186-0.20860.15950.3168-0.4625-0.02770.3002-0.1536-0.28840.14480.4278-0.0222-0.05260.28690.02990.4098-32.551-15.116-82.134
572.64491.71240.78582.0685-0.53193.96980.05310.90330.2448-1.1308-0.34550.1644-0.7093-0.10480.29980.6675-0.075-0.00180.64330.16590.4466-27.398-10.462-89.63
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN I AND RESID 334:370 )I334 - 370
2X-RAY DIFFRACTION2( CHAIN I AND RESID 371:409 )I371 - 409
3X-RAY DIFFRACTION3( CHAIN I AND RESID 410:506 )I410 - 506
4X-RAY DIFFRACTION4( CHAIN I AND RESID 507:529 )I507 - 529
5X-RAY DIFFRACTION5( CHAIN L AND RESID 1:25 )L1 - 25
6X-RAY DIFFRACTION6( CHAIN L AND RESID 26:139 )L26 - 139
7X-RAY DIFFRACTION7( CHAIN L AND RESID 140:150 )L140 - 150
8X-RAY DIFFRACTION8( CHAIN L AND RESID 151:213 )L151 - 213
9X-RAY DIFFRACTION9( CHAIN H AND RESID 1:53 )H1 - 53
10X-RAY DIFFRACTION10( CHAIN H AND RESID 54:92 )H54 - 92
11X-RAY DIFFRACTION11( CHAIN H AND RESID 93:123 )H93 - 123
12X-RAY DIFFRACTION12( CHAIN H AND RESID 124:138 )H124 - 138
13X-RAY DIFFRACTION13( CHAIN H AND RESID 139:161 )H139 - 161
14X-RAY DIFFRACTION14( CHAIN H AND RESID 162:213 )H162 - 213
15X-RAY DIFFRACTION15( CHAIN A AND RESID 331:349 )A331 - 349
16X-RAY DIFFRACTION16( CHAIN A AND RESID 350:364 )A350 - 364
17X-RAY DIFFRACTION17( CHAIN A AND RESID 365:393 )A365 - 393
18X-RAY DIFFRACTION18( CHAIN A AND RESID 394:421 )A394 - 421
19X-RAY DIFFRACTION19( CHAIN A AND RESID 422:459 )A422 - 459
20X-RAY DIFFRACTION20( CHAIN A AND RESID 460:494 )A460 - 494
21X-RAY DIFFRACTION21( CHAIN A AND RESID 495:516 )A495 - 516
22X-RAY DIFFRACTION22( CHAIN A AND RESID 517:529 )A517 - 529
23X-RAY DIFFRACTION23( CHAIN B AND RESID 1:13 )B1 - 13
24X-RAY DIFFRACTION24( CHAIN B AND RESID 14:25 )B14 - 25
25X-RAY DIFFRACTION25( CHAIN B AND RESID 26:90 )B26 - 90
26X-RAY DIFFRACTION26( CHAIN B AND RESID 91:139 )B91 - 139
27X-RAY DIFFRACTION27( CHAIN B AND RESID 140:150 )B140 - 150
28X-RAY DIFFRACTION28( CHAIN B AND RESID 151:188 )B151 - 188
29X-RAY DIFFRACTION29( CHAIN B AND RESID 189:214 )B189 - 214
30X-RAY DIFFRACTION30( CHAIN C AND RESID 1:68 )C1 - 68
31X-RAY DIFFRACTION31( CHAIN C AND RESID 69:123 )C69 - 123
32X-RAY DIFFRACTION32( CHAIN C AND RESID 124:138 )C124 - 138
33X-RAY DIFFRACTION33( CHAIN C AND RESID 139:149 )C139 - 149
34X-RAY DIFFRACTION34( CHAIN C AND RESID 150:161 )C150 - 161
35X-RAY DIFFRACTION35( CHAIN C AND RESID 162:214 )C162 - 214
36X-RAY DIFFRACTION36( CHAIN D AND RESID 333:349 )D333 - 349
37X-RAY DIFFRACTION37( CHAIN D AND RESID 350:375 )D350 - 375
38X-RAY DIFFRACTION38( CHAIN D AND RESID 376:393 )D376 - 393
39X-RAY DIFFRACTION39( CHAIN D AND RESID 394:442 )D394 - 442
40X-RAY DIFFRACTION40( CHAIN D AND RESID 443:459 )D443 - 459
41X-RAY DIFFRACTION41( CHAIN D AND RESID 460:479 )D460 - 479
42X-RAY DIFFRACTION42( CHAIN D AND RESID 480:494 )D480 - 494
43X-RAY DIFFRACTION43( CHAIN D AND RESID 495:506 )D495 - 506
44X-RAY DIFFRACTION44( CHAIN D AND RESID 507:516 )D507 - 516
45X-RAY DIFFRACTION45( CHAIN D AND RESID 517:529 )D517 - 529
46X-RAY DIFFRACTION46( CHAIN E AND RESID 1:13 )E1 - 13
47X-RAY DIFFRACTION47( CHAIN E AND RESID 14:90 )E14 - 90
48X-RAY DIFFRACTION48( CHAIN E AND RESID 91:113 )E91 - 113
49X-RAY DIFFRACTION49( CHAIN E AND RESID 114:163 )E114 - 163
50X-RAY DIFFRACTION50( CHAIN E AND RESID 164:188 )E164 - 188
51X-RAY DIFFRACTION51( CHAIN E AND RESID 189:214 )E189 - 214
52X-RAY DIFFRACTION52( CHAIN F AND RESID 1:61 )F1 - 61
53X-RAY DIFFRACTION53( CHAIN F AND RESID 62:123 )F62 - 123
54X-RAY DIFFRACTION54( CHAIN F AND RESID 124:138 )F124 - 138
55X-RAY DIFFRACTION55( CHAIN F AND RESID 139:161 )F139 - 161
56X-RAY DIFFRACTION56( CHAIN F AND RESID 162:207 )F162 - 207
57X-RAY DIFFRACTION57( CHAIN F AND RESID 208:215 )F208 - 215

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