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- PDB-8sit: Crystal structure of SARS-CoV-2 spike receptor-binding domain in ... -

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Basic information

Entry
Database: PDB / ID: 8sit
TitleCrystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab
Components
  • CC84.24 fab heavy chain
  • CC84.24 fab light chain
  • Spike protein S1
KeywordsIMMUNE SYSTEM / bnAb / SARS-CoV-2 / broadly neutralizing antibody / spike / RBD
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
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.91 Å
AuthorsLiu, H. / Wilson, I.A.
Funding support United States, 1items
OrganizationGrant numberCountry
Bill & Melinda Gates FoundationINV-004923 United States
CitationJournal: Biorxiv / Year: 2023
Title: Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Authors: Song, G. / Yuan, M. / Liu, H. / Capozzola, T. / Lin, R. / Torres, J. / He, W. / Musharrafieh, R. / Dueker, K. / Zhou, P. / Callaghan, S. / Mishra, N. / Yong, P. / Anzanello, F. / Avillion, G. ...Authors: Song, G. / Yuan, M. / Liu, H. / Capozzola, T. / Lin, R. / Torres, J. / He, W. / Musharrafieh, R. / Dueker, K. / Zhou, P. / Callaghan, S. / Mishra, N. / Yong, P. / Anzanello, F. / Avillion, G. / Vo, A. / Li, X. / Makhdoomi, M. / Feng, Z. / Zhu, X. / Peng, L. / Nemazee, D. / Safonova, Y. / Briney, B. / Ward, A. / Burton, D. / Wilson, I. / Andrabi, R.
History
DepositionApr 16, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 13, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike protein S1
B: Spike protein S1
C: Spike protein S1
D: Spike protein S1
H: CC84.24 fab heavy chain
L: CC84.24 fab light chain
M: CC84.24 fab heavy chain
N: CC84.24 fab light chain
O: CC84.24 fab heavy chain
P: CC84.24 fab light chain
Q: CC84.24 fab heavy chain
S: CC84.24 fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)282,73314
Polymers282,29012
Non-polymers4422
Water00
1
A: Spike protein S1
H: CC84.24 fab heavy chain
L: CC84.24 fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,7944
Polymers70,5733
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Spike protein S1
M: CC84.24 fab heavy chain
N: CC84.24 fab light chain


Theoretical massNumber of molelcules
Total (without water)70,5733
Polymers70,5733
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Spike protein S1
O: CC84.24 fab heavy chain
P: CC84.24 fab light chain


Theoretical massNumber of molelcules
Total (without water)70,5733
Polymers70,5733
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Spike protein S1
Q: CC84.24 fab heavy chain
S: CC84.24 fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,7944
Polymers70,5733
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)101.394, 105.980, 247.040
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
Spike protein S1


Mass: 23104.867 Da / Num. of mol.: 4 / Fragment: Receptor binding domain, UNP residues 333-530
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P0DTC2
#2: Antibody
CC84.24 fab heavy chain


Mass: 24752.703 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Mus musculus (house mouse)
#3: Antibody
CC84.24 fab light chain


Mass: 22714.957 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Mus musculus (house mouse)
#4: 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
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: 2.36 Å3/Da / Density % sol: 47.93 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 20% (w/v) PEG 3000, 0.1 M Sodium citrate pH 5.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.03317 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Oct 8, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.03317 Å / Relative weight: 1
ReflectionResolution: 2.9→50 Å / Num. obs: 54891 / % possible obs: 92.5 % / Redundancy: 6.2 % / CC1/2: 0.983 / CC star: 0.996 / Rmerge(I) obs: 0.214 / Rpim(I) all: 0.089 / Rrim(I) all: 0.233 / Χ2: 0.933 / Net I/σ(I): 5.1 / Num. measured all: 341806
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.9-2.953.50.76623620.4210.770.430.8850.68781.3
2.95-33.70.73725630.4830.8070.4050.8470.72386.9
3-3.064.20.71225940.6220.8760.370.8060.76388.6
3.06-3.124.50.68326560.6550.890.3440.7690.74991.3
3.12-3.194.90.61527000.7870.9390.2990.6870.78392.4
3.19-3.275.20.61127510.810.9460.2860.6770.79793.2
3.27-3.355.50.53527720.8480.9580.2430.5910.8195.2
3.35-3.445.50.44327390.8920.9710.2010.4890.83893.8
3.44-3.546.30.42428250.9030.9740.180.4630.84595.2
3.54-3.657.10.38828520.9270.9810.1540.420.90696.6
3.65-3.787.30.3528370.9460.9860.1380.3780.91596.3
3.78-3.947.30.30628190.950.9870.1190.330.96996.1
3.94-4.117.30.26728180.9590.990.1040.2881.01995.3
4.11-4.337.40.22527720.9650.9910.0870.2421.10793.6
4.33-4.67.40.19527840.9710.9930.0760.2111.16792.8
4.6-4.967.10.17526990.9750.9940.070.1891.09191.6
4.96-5.467.10.16827910.9740.9930.0670.1821.03692.8
5.46-6.247.80.16528410.9770.9940.0620.1771.0494
6.24-7.867.50.1428460.9820.9950.0540.1510.99193.3
7.86-5070.10228700.9870.9970.0410.110.7789

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Processing

Software
NameVersionClassification
PHENIX(1.19.2_4158: ???)refinement
HKL-2000data scaling
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.91→48.7 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 33.81 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.3091 2275 4.89 %Random selection
Rwork0.2611 ---
obs0.2634 46502 78.53 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.91→48.7 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17983 0 28 0 18011
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00618486
X-RAY DIFFRACTIONf_angle_d0.97825344
X-RAY DIFFRACTIONf_dihedral_angle_d16.5242697
X-RAY DIFFRACTIONf_chiral_restr0.072821
X-RAY DIFFRACTIONf_plane_restr0.0123340
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.91-2.970.3823410.3861990X-RAY DIFFRACTION28
2.97-3.040.4469630.35941327X-RAY DIFFRACTION38
3.04-3.120.3627950.33511741X-RAY DIFFRACTION50
3.12-3.20.3811090.33152136X-RAY DIFFRACTION62
3.2-3.30.38681540.33652492X-RAY DIFFRACTION72
3.3-3.40.37431300.32072762X-RAY DIFFRACTION79
3.4-3.530.32451580.31052987X-RAY DIFFRACTION86
3.53-3.670.31141590.28453355X-RAY DIFFRACTION95
3.67-3.830.31941660.27553341X-RAY DIFFRACTION96
3.83-4.040.32811670.26523346X-RAY DIFFRACTION95
4.04-4.290.30251820.24073284X-RAY DIFFRACTION94
4.29-4.620.28641470.20573282X-RAY DIFFRACTION92
4.62-5.080.27891740.21073172X-RAY DIFFRACTION90
5.08-5.820.26841780.22563317X-RAY DIFFRACTION94
5.82-7.330.28271850.26583376X-RAY DIFFRACTION94
7.33-48.70.29211670.25083319X-RAY DIFFRACTION88
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)
10.42880.5408-0.73961.24520.21323.537-0.0671-1.0291-0.54950.7037-0.17040.35090.26190.47940.34530.4687-0.02540.20340.90870.18850.532911.083-41.27448.754
22.29980.1565-0.78412.35880.26561.0437-0.0898-0.49790.23290.449-0.10960.24330.0080.20690.11210.8281-0.48620.08441.5377-0.19970.45389.408-13.86464.837
31.74460.46490.6991.81071.08631.1122-0.0454-0.9289-0.43760.6129-0.1463-0.2560.34710.1775-0.1820.45510.1408-0.01131.61880.25080.38627.345-41.83649.083
40.4944-0.1212-0.66570.4884-0.39341.6049-0.0069-0.76990.15420.2171-0.2549-0.0055-0.35150.34530.11780.8048-0.18310.02172.3347-0.18980.567320.582-17.59775.927
50.71510.4663-0.04430.30810.02020.40810.00980.0964-0.2779-0.0092-0.23780.51550.0493-0.14430.16220.6438-0.04890.05321.4999-0.98591.6963-32.534-74.419-58.015
61.0465-0.1836-1.18170.06040.1661.3959-0.20350.4308-0.2064-0.7018-0.03740.07620.1638-0.80250.38290.94220.1686-0.00571.7968-0.56450.7492-24.689-61.054-64.713
70.1505-0.44540.1941.9387-0.41410.2886-0.06490.1067-0.1222-0.1088-0.12640.16170.1766-0.1942-0.04680.6630.10160.04711.3461-0.83351.1066-20.783-76.132-62.931
80.2357-0.0480.04770.0667-0.32931.79690.03040.2762-0.373-0.75790.01210.24980.4925-0.2858-0.03130.87270.1403-0.23481.6218-0.90641.278-27.352-73.998-66.412
90.75381.44190.89934.03720.33562.568-0.330.8652-0.6233-0.6497-0.0137-0.29360.19660.43650.33490.92760.1654-0.00812.2726-0.77691.1023-6.423-62.96-77.054
100.362-0.3609-0.42540.67310.48321.6976-0.21230.3454-0.2151-0.42090.0990.0006-0.1193-0.07160.21470.60730.0337-0.09981.372-0.72520.9719-17.243-68.877-61.826
110.23080.0873-0.1520.0391-0.00340.4577-0.23830.3468-0.63950.0029-0.16870.18570.2814-0.20420.32130.70840.14440.27141.1282-0.43132.1169-35.855-79.143-37.436
128.7445-2.415-3.15643.3732-2.5025.45340.01130.7839-0.8659-0.3227-0.33940.55780.4851-1.21620.3850.9420.0916-0.20350.7803-0.35231.5211-32.886-77.605-37.995
130.33050.92780.17782.62740.46450.14190.00470.7219-1.4964-0.4929-0.0105-0.03650.0626-0.185-0.05950.76030.11540.09280.8223-0.47941.2967-28.288-74.666-36.923
141.4389-0.0632-1.14542.599-0.66091.10860.27720.6446-0.87550.324-0.20120.314-0.1718-0.0607-0.07751.295-0.1313-0.0090.7625-0.41271.0692-32.815-68.587-32.561
150.6403-0.3146-0.23390.77310.27160.6149-0.01410.605-0.4372-0.1902-0.23510.2535-0.0142-0.4586-0.23910.50950.09660.04611.1731-0.78830.7972-4.822-74.292-58.907
163.1483-0.1953-2.54980.19240.43842.5166-0.2424-0.1832-0.6509-0.027-0.1767-0.01790.0613-0.1180.31791.20980.0162-0.10360.83310.10121.0587-19.982-83.532-28.363
175.6730.7871-0.10990.9940.35080.1715-0.00630.2726-0.29990.34160.0331-0.14110.34920.3992-0.00470.92730.1871-0.14590.96850.06461.5688-24.763-86.215-22.215
180.6086-0.13020.41081.1117-0.17050.5748-0.02880.3648-0.2687-0.4825-0.0760.11620.3142-0.0082-0.20420.23640.0092-0.06860.1731-0.17060.128633.453-25.052-13.779
190.4391-0.28880.96420.5580.03893.3404-0.01020.5021-0.0528-0.1714-0.10.00080.0269-0.00590.05420.2124-0.12770.04710.7216-0.0970.20532.214-17.581-21.369
200.2641-0.2287-0.40320.42741.33534.86710.04420.2091-0.1862-0.4559-0.10150.08550.4798-0.24030.10990.48740.02720.04230.3532-0.26870.408119.642-28.239-20.155
211.25010.5541-0.28381.6241-0.33420.0955-0.11520.85280.2316-0.8735-0.05180.24270.1029-0.35540.1990.39790.0284-0.10620.6314-0.07580.220217.829-17.11-20.303
220.9171-0.39210.09060.289-0.0050.77570.1229-0.22510.04170.05460.14420.0614-0.1432-0.04080.1474-0.0078-0.02150.10790.12750.04570.071325.672-22.153-5.495
231.0154-0.5059-0.10531.45260.56091.39750.03820.2487-0.11570.0620.0937-0.13090.17060.09390.00470.1574-0.02050.08780.1624-0.14250.183327.568-22.773-1.417
241.9695-0.3642-0.18571.267-1.07011.10070.1812-0.21360.38110.3356-0.142-0.42030.06850.11340.03330.278-0.0297-0.01360.0464-0.04190.309436.503-12.8216.806
250.9919-0.3232-0.81132.0097-1.8923.10450.1977-0.82130.48360.5287-0.2724-0.6041-0.47850.78480.0440.1856-0.0501-0.03240.4735-0.05130.345140.031-20.31715.455
261.51030.054-0.33352.5773-0.111.75450.02480.3798-0.1895-0.3327-0.02110.15410.0115-0.0944-0.00380.11920.1022-0.03940.1181-0.11130.147226.165-23.232-11.144
271.8595-1.3456-0.2253.51820.28350.99720.14170.97080.1922-0.8169-0.1854-0.2766-0.18820.3442-0.04590.8617-0.0338-0.00440.7895-0.00950.127913.926-49.895-48.058
281.87861.25561.44871.61840.91472.53850.13660.2481-0.3533-0.11350.2687-0.38090.03790.4606-0.28420.883-0.1024-0.19811.101-0.31810.499917.978-59.258-51.325
291.3960.12750.05310.2259-0.05570.01910.2204-0.2030.4619-0.25330.4968-1.0932-0.07630.9139-0.80530.9535-0.18240.07620.978-0.38640.607625.824-51.543-39.021
302.38662.80362.04343.45661.81333.87040.40950.4447-0.7713-0.15060.0303-0.42160.14060.7176-0.410.37640.0882-0.10110.5342-0.21420.355922.989-62.231-38.201
311.6373-0.2637-0.94080.8261-0.00561.47940.29890.2490.0490.08830.0405-0.2229-0.60420.0505-0.21660.6814-0.0894-0.04270.2636-0.13450.22168.807-52.862-36.653
324.91620.3268-0.73221.0557-0.41372.85930.02630.55360.64080.012-0.09780.2297-0.7355-0.16460.06090.84110.0907-0.11130.3982-0.09790.3855-1.043-42.933-39.824
332.4437-2.0286-0.1753.42350.07851.9782-0.19150.4812-0.1934-0.3528-0.17680.6336-0.6459-0.63410.27670.70560.1514-0.06790.5376-0.20940.3801-8.567-54.864-41.876
342.8029-0.1375-3.60692.02540.04814.6490.38541.0830.0931-0.42770.03940.9538-0.5594-1.1442-0.37860.92040.2898-0.20690.89090.04910.5302-15.135-44.974-40.462
352.20921.45531.20330.96660.86251.30120.16690.00120.5814-0.34-0.11460.3969-0.21030.00960.06991.488-0.0847-0.08490.3492-0.04030.66076.722-36.539-32.889
362.54720.5533-0.922.1910.20172.4876-0.03870.4701-0.5251-0.38510.27-0.46460.15920.4628-0.240.78340.0781-0.1150.517-0.21470.372418.148-60.368-44.839
372.14161.0844-0.31350.5528-0.1730.0963-0.34310.0389-0.3044-0.15620.0918-0.21240.03110.15070.14050.29540.00330.02050.32190.16710.221628.423-39.90312.796
381.96871.94920.11742.72781.38852.0367-0.25170.2378-0.4604-0.2805-0.00610.33450.0811-0.12870.22350.2556-0.17930.05220.3129-0.07960.475619.312-44.8689.686
395.97792.60582.98621.57121.45521.72640.1407-0.0944-1.6666-0.0992-0.3271-0.54591.43280.14510.04040.8620.04790.34710.40580.08370.89428.516-52.82220.756
404.3197-1.58331.92381.6298-0.31724.0666-0.22950.1268-0.88890.045-0.25810.06560.970.03130.40120.53750.08520.32380.38530.07160.483617.614-51.21722.28
413.0679-0.5166-1.64992.24520.40451.9966-0.029-0.6428-0.36840.15560.0047-0.16190.03380.2941-0.04790.1684-0.0631-0.02220.25630.00290.181325.102-36.26224.872
420.75210.26970.07280.86460.47640.73780.0034-0.10340.004-0.09780.1782-0.2259-0.06070.3232-0.08970.1984-0.24730.05740.4854-0.11660.173633.144-24.61222.216
432.7530.8624-0.77610.5408-0.37143.16720.0881-0.21160.69360.0787-0.03750.0519-0.44750.24170.20710.2651-0.0422-0.20320.2371-0.01770.482620.706-18.82121.497
441.70241.25270.43441.90810.10091.6993-0.0065-0.28340.81030.2322-0.082-0.1152-0.38140.14240.15150.2509-0.2203-0.03890.3642-0.06280.484630.056-11.14522.922
450.9125-0.1626-1.55311.3069-0.21412.83420.0986-0.6201-0.26090.1587-0.0449-0.3250.07660.90740.10470.21510.05690.0170.37010.12060.209433.691-36.69524.38
462.76851.01250.08882.64633.58365.54290.03770.0214-1.2308-0.19080.0840.54640.1795-0.0581-0.17220.2648-0.0884-0.10590.5063-0.14550.809110.05-50.57611.49
470.25080.2173-0.21660.5706-0.43011.56240.1630.5799-0.0709-0.8473-0.0941-0.1017-0.10170.2037-0.04831.08140.36040.06431.8079-0.12810.4063-2.13-48.084-77.086
482.68441.62632.48332.23360.21083.6415-0.17250.2634-0.0064-0.31930.00450.1601-0.0646-0.22360.07730.7940.4021-0.16841.5654-0.33920.5169-10.686-50.455-64.713
492.4952-1.06961.78051.3488-1.72344.0994-0.19090.19690.05050.3624-0.2559-0.223-0.12750.50910.37941.04770.3725-0.05691.8301-0.01830.4786.398-49.948-70.849
501.95080.09780.58431.04420.00290.50310.0150.8680.2074-0.0892-0.2243-0.1341-0.5974-0.43470.3061.365-0.0136-0.07541.16770.21020.4639-2.492-41.439-58.75
516.75911.6117-1.90673.3523-1.17137.45220.30880.25550.81980.17690.12070.7353-1.2166-0.2496-0.44781.22950.34690.16520.62450.1550.5481-11.321-34.403-46.248
520.40160.11370.29171.3212-0.30710.3324-0.0191.04570.01-0.0734-0.2494-0.0542-0.8706-0.36220.26710.91610.2455-0.05741.40080.1050.5443-1.778-43.73-63.204
532.1038-0.2791-1.04291.55690.69351.38280.30830.72080.1311-0.139-0.24640.1914-0.2162-0.33730.02190.22830.1143-0.03540.2299-0.0440.19731.941-5.065-0.515
542.51560.4073-0.83592.544-2.20323.55080.0105-0.51250.22480.6289-0.4891-0.6076-0.47650.49060.09490.56050.1714-0.06620.2249-0.19140.6011.218-0.31829.827
550.75670.37260.13591.09230.44160.63360.1040.0703-0.27050.1736-0.18610.1520.06-0.19140.01060.0958-0.054-0.10510.0098-0.2350.18841.08-24.5576.044
562.49591.48041.24775.9322.7063.1582-0.0138-1.04110.04040.63770.04910.31990.0651-0.0369-0.05320.3958-0.02640.02430.79890.11050.334-7.913-8.98539.194
571.8941-0.1758-0.76590.29040.16820.34390.1668-1.1079-0.160.8018-0.42220.28750.2209-0.52320.30461.30550.1159-0.01330.9989-0.16640.5092-7.7-16.08344.491
580.21670.5129-0.1251.2406-0.02011.57710.00470.0861-0.2424-0.10880.01930.20050.3156-0.01260.00710.26320.0551-0.040.0821-0.03870.66044.373-73.377-14.138
596.5793-2.5351.29697.3623-1.56943.24970.37110.8447-0.9097-1.0812-0.3120.21321.08380.5265-0.08810.42930.13650.00810.2386-0.03020.586115.978-73.368-17.647
600.4366-0.372-0.20550.74670.00640.1695-0.00560.1003-0.4187-0.0366-0.1203-0.0074-0.0663-0.01510.08580.38060.2093-0.20750.0967-0.10910.572911.218-71.258-15.611
610.7247-0.05320.09070.8954-0.58450.66080.0075-0.0706-0.14230.0991-0.0999-0.061-0.15070.0607-0.25130.3626-0.0463-0.09710.07130.13320.6249-17.195-70.4362.496
622.2536-0.93810.27192.20050.34961.10250.08840.027-0.75740.0153-0.31810.15530.03450.02940.12760.2284-0.0355-0.05870.1450.02190.7191-19.413-69.415-0.44
630.83040.329-0.15182.61870.86592.09790.1764-0.23390.34440.19840.1073-0.0207-0.48370.2517-0.14640.50520.00390.06970.1072-0.0780.394912.353-52.953-11.774
640.02110.03150.02740.0659-0.04520.4320.08860.118-0.04430.33370.01350.13850.0092-0.1193-0.08120.2517-0.08620.06650.20020.01670.64810.675-47.6121.14
650.97420.23170.00772.0273-0.27040.750.1316-0.2255-0.1520.43410.0105-0.0620.2578-0.16940.00690.4921-0.16690.05480.24510.32180.5087-16.791-60.70414.119
660.7542-0.129-1.04211.1171-0.59162.5934-0.2083-0.6675-0.31390.38270.00260.27250.52030.0610.13570.4165-0.22420.20890.77030.20940.48784.707-40.62547.681
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN O AND RESID 82:118 )O82 - 118
2X-RAY DIFFRACTION2( CHAIN O AND RESID 119:214 )O119 - 214
3X-RAY DIFFRACTION3( CHAIN P AND RESID 3:98 )P3 - 98
4X-RAY DIFFRACTION4( CHAIN P AND RESID 99:209 )P99 - 209
5X-RAY DIFFRACTION5( CHAIN Q AND RESID 2:19 )Q2 - 19
6X-RAY DIFFRACTION6( CHAIN Q AND RESID 20:32 )Q20 - 32
7X-RAY DIFFRACTION7( CHAIN Q AND RESID 33:50 )Q33 - 50
8X-RAY DIFFRACTION8( CHAIN Q AND RESID 51:95 )Q51 - 95
9X-RAY DIFFRACTION9( CHAIN Q AND RESID 96:100 )Q96 - 100
10X-RAY DIFFRACTION10( CHAIN Q AND RESID 101:109 )Q101 - 109
11X-RAY DIFFRACTION11( CHAIN Q AND RESID 110:137 )Q110 - 137
12X-RAY DIFFRACTION12( CHAIN Q AND RESID 138:150 )Q138 - 150
13X-RAY DIFFRACTION13( CHAIN Q AND RESID 151:177 )Q151 - 177
14X-RAY DIFFRACTION14( CHAIN Q AND RESID 178:213 )Q178 - 213
15X-RAY DIFFRACTION15( CHAIN S AND RESID 2:106 )S2 - 106
16X-RAY DIFFRACTION16( CHAIN S AND RESID 107:171 )S107 - 171
17X-RAY DIFFRACTION17( CHAIN S AND RESID 172:209 )S172 - 209
18X-RAY DIFFRACTION18( CHAIN A AND RESID 334:353 )A334 - 353
19X-RAY DIFFRACTION19( CHAIN A AND RESID 354:364 )A354 - 364
20X-RAY DIFFRACTION20( CHAIN A AND RESID 365:375 )A365 - 375
21X-RAY DIFFRACTION21( CHAIN A AND RESID 376:393 )A376 - 393
22X-RAY DIFFRACTION22( CHAIN A AND RESID 394:410 )A394 - 410
23X-RAY DIFFRACTION23( CHAIN A AND RESID 411:459 )A411 - 459
24X-RAY DIFFRACTION24( CHAIN A AND RESID 460:479 )A460 - 479
25X-RAY DIFFRACTION25( CHAIN A AND RESID 480:494 )A480 - 494
26X-RAY DIFFRACTION26( CHAIN A AND RESID 495:528 )A495 - 528
27X-RAY DIFFRACTION27( CHAIN B AND RESID 334:353 )B334 - 353
28X-RAY DIFFRACTION28( CHAIN B AND RESID 354:364 )B354 - 364
29X-RAY DIFFRACTION29( CHAIN B AND RESID 365:375 )B365 - 375
30X-RAY DIFFRACTION30( CHAIN B AND RESID 376:393 )B376 - 393
31X-RAY DIFFRACTION31( CHAIN B AND RESID 394:442 )B394 - 442
32X-RAY DIFFRACTION32( CHAIN B AND RESID 443:459 )B443 - 459
33X-RAY DIFFRACTION33( CHAIN B AND RESID 460:479 )B460 - 479
34X-RAY DIFFRACTION34( CHAIN B AND RESID 480:494 )B480 - 494
35X-RAY DIFFRACTION35( CHAIN B AND RESID 495:506 )B495 - 506
36X-RAY DIFFRACTION36( CHAIN B AND RESID 507:528 )B507 - 528
37X-RAY DIFFRACTION37( CHAIN C AND RESID 334:353 )C334 - 353
38X-RAY DIFFRACTION38( CHAIN C AND RESID 354:364 )C354 - 364
39X-RAY DIFFRACTION39( CHAIN C AND RESID 365:375 )C365 - 375
40X-RAY DIFFRACTION40( CHAIN C AND RESID 376:393 )C376 - 393
41X-RAY DIFFRACTION41( CHAIN C AND RESID 394:442 )C394 - 442
42X-RAY DIFFRACTION42( CHAIN C AND RESID 443:459 )C443 - 459
43X-RAY DIFFRACTION43( CHAIN C AND RESID 460:479 )C460 - 479
44X-RAY DIFFRACTION44( CHAIN C AND RESID 480:494 )C480 - 494
45X-RAY DIFFRACTION45( CHAIN C AND RESID 495:516 )C495 - 516
46X-RAY DIFFRACTION46( CHAIN C AND RESID 517:528 )C517 - 528
47X-RAY DIFFRACTION47( CHAIN D AND RESID 335:410 )D335 - 410
48X-RAY DIFFRACTION48( CHAIN D AND RESID 411:430 )D411 - 430
49X-RAY DIFFRACTION49( CHAIN D AND RESID 431:442 )D431 - 442
50X-RAY DIFFRACTION50( CHAIN D AND RESID 443:469 )D443 - 469
51X-RAY DIFFRACTION51( CHAIN D AND RESID 470:479 )D470 - 479
52X-RAY DIFFRACTION52( CHAIN D AND RESID 480:525 )D480 - 525
53X-RAY DIFFRACTION53( CHAIN H AND RESID 1:103 )H1 - 103
54X-RAY DIFFRACTION54( CHAIN H AND RESID 104:213 )H104 - 213
55X-RAY DIFFRACTION55( CHAIN L AND RESID 1:114 )L1 - 114
56X-RAY DIFFRACTION56( CHAIN L AND RESID 115:190 )L115 - 190
57X-RAY DIFFRACTION57( CHAIN L AND RESID 191:209 )L191 - 209
58X-RAY DIFFRACTION58( CHAIN M AND RESID 1:44 )M1 - 44
59X-RAY DIFFRACTION59( CHAIN M AND RESID 45:59 )M45 - 59
60X-RAY DIFFRACTION60( CHAIN M AND RESID 60:111 )M60 - 111
61X-RAY DIFFRACTION61( CHAIN M AND RESID 112:157 )M112 - 157
62X-RAY DIFFRACTION62( CHAIN M AND RESID 158:214 )M158 - 214
63X-RAY DIFFRACTION63( CHAIN N AND RESID 2:98 )N2 - 98
64X-RAY DIFFRACTION64( CHAIN N AND RESID 99:114 )N99 - 114
65X-RAY DIFFRACTION65( CHAIN N AND RESID 115:209 )N115 - 209
66X-RAY DIFFRACTION66( CHAIN O AND RESID 1:81 )O1 - 81

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