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- PDB-7eam: immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 -

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Basic information

Entry
Database: PDB / ID: 7eam
Titleimmune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
Components
  • Spike protein S1
  • the heavy chain of Fab fragment of antibody 7D6
  • the light chain of Fab fragment of antibody 7D6
KeywordsVIRAL PROTEIN / IMMUNE SYSTEM / SARS-CoV-2 / Receptor binding domain / neutralizing antibody
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
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.4 Å
AuthorsLi, T.T. / Gu, Y. / Li, S.W.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)82001756 China
CitationJournal: Nat Commun / Year: 2021
Title: Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Authors: Li, T. / Xue, W. / Zheng, Q. / Song, S. / Yang, C. / Xiong, H. / Zhang, S. / Hong, M. / Zhang, Y. / Yu, H. / Zhang, Y. / Sun, H. / Huang, Y. / Deng, T. / Chi, X. / Li, J. / Wang, S. / Zhou, ...Authors: Li, T. / Xue, W. / Zheng, Q. / Song, S. / Yang, C. / Xiong, H. / Zhang, S. / Hong, M. / Zhang, Y. / Yu, H. / Zhang, Y. / Sun, H. / Huang, Y. / Deng, T. / Chi, X. / Li, J. / Wang, S. / Zhou, L. / Chen, T. / Wang, Y. / Cheng, T. / Zhang, T. / Yuan, Q. / Zhao, Q. / Zhang, J. / McLellan, J.S. / Zhou, Z.H. / Zhang, Z. / Li, S. / Gu, Y. / Xia, N.
History
DepositionMar 7, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Mar 17, 2021Provider: repository / Type: Initial release
Revision 1.1Mar 31, 2021Group: Derived calculations
Category: pdbx_struct_assembly / pdbx_struct_assembly_gen ...pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list
Item: _pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details
Revision 2.0Oct 20, 2021Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Polymer sequence / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / citation / citation_author / database_2 / entity / entity_poly / entity_poly_seq / pdbx_contact_author / pdbx_distant_solvent_atoms / pdbx_entry_details / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_refine_tls / pdbx_struct_assembly_gen / pdbx_struct_sheet_hbond / pdbx_validate_close_contact / pdbx_validate_rmsd_angle / pdbx_validate_symm_contact / pdbx_validate_torsion / refine / refine_hist / refine_ls_shell / reflns / software / struct_conn / struct_mon_prot_cis / struct_sheet / struct_sheet_order / struct_sheet_range
Item: _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] ..._atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.type_symbol / _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.pdbx_database_id_DOI / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.formula_weight / _entity.pdbx_number_of_molecules / _entity_poly.pdbx_seq_one_letter_code / _entity_poly.pdbx_seq_one_letter_code_can / _entity_poly_seq.mon_id / _pdbx_entry_details.has_ligand_of_interest / _pdbx_poly_seq_scheme.auth_mon_id / _pdbx_poly_seq_scheme.mon_id / _pdbx_poly_seq_scheme.pdb_mon_id / _pdbx_refine_tls.L[1][1] / _pdbx_refine_tls.L[1][2] / _pdbx_refine_tls.L[1][3] / _pdbx_refine_tls.L[2][2] / _pdbx_refine_tls.L[2][3] / _pdbx_refine_tls.L[3][3] / _pdbx_refine_tls.S[1][1] / _pdbx_refine_tls.S[1][2] / _pdbx_refine_tls.S[1][3] / _pdbx_refine_tls.S[2][1] / _pdbx_refine_tls.S[2][2] / _pdbx_refine_tls.S[2][3] / _pdbx_refine_tls.S[3][1] / _pdbx_refine_tls.S[3][2] / _pdbx_refine_tls.S[3][3] / _pdbx_refine_tls.T[1][1] / _pdbx_refine_tls.T[1][2] / _pdbx_refine_tls.T[1][3] / _pdbx_refine_tls.T[2][2] / _pdbx_refine_tls.T[2][3] / _pdbx_refine_tls.T[3][3] / _pdbx_refine_tls.origin_x / _pdbx_refine_tls.origin_y / _pdbx_refine_tls.origin_z / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_rmsd_angle.angle_deviation / _pdbx_validate_rmsd_angle.angle_value / _refine.B_iso_max / _refine.B_iso_mean / _refine.B_iso_min / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.ls_d_res_low / _refine.ls_number_reflns_R_work / _refine.ls_number_reflns_obs / _refine.ls_percent_reflns_R_free / _refine.pdbx_ls_cross_valid_method / _refine.pdbx_overall_phase_error / _refine_hist.d_res_low / _refine_hist.number_atoms_solvent / _refine_hist.number_atoms_total / _refine_hist.pdbx_B_iso_mean_ligand / _refine_hist.pdbx_B_iso_mean_solvent / _refine_hist.pdbx_number_atoms_ligand / _refine_ls_shell.R_factor_R_free / _refine_ls_shell.R_factor_R_work / _refine_ls_shell.d_res_high / _refine_ls_shell.d_res_low / _refine_ls_shell.number_reflns_R_work / _refine_ls_shell.number_reflns_all / _refine_ls_shell.pdbx_total_number_of_bins_used / _reflns.number_obs / _software.version / _struct_conn.pdbx_dist_value / _struct_mon_prot_cis.pdbx_omega_angle
Description: Sequence discrepancy / Provider: author / Type: Coordinate replacement
Revision 3.0Nov 10, 2021Group: Atomic model / Data collection / Derived calculations
Category: atom_site / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_struct_assembly_gen.asym_id_list
Revision 3.1Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike protein S1
H: the heavy chain of Fab fragment of antibody 7D6
L: the light chain of Fab fragment of antibody 7D6
B: Spike protein S1
C: the heavy chain of Fab fragment of antibody 7D6
D: the light chain of Fab fragment of antibody 7D6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)149,01910
Polymers147,7286
Non-polymers1,2914
Water21,3661186
1
A: Spike protein S1
H: the heavy chain of Fab fragment of antibody 7D6
L: the light chain of Fab fragment of antibody 7D6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,5105
Polymers73,8643
Non-polymers6462
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Spike protein S1
C: the heavy chain of Fab fragment of antibody 7D6
D: the light chain of Fab fragment of antibody 7D6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,5105
Polymers73,8643
Non-polymers6462
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)37.440, 87.970, 102.720
Angle α, β, γ (deg.)89.960, 87.050, 89.980
Int Tables number1
Space group name H-MP1
Symmetry operation#1: x,y,z

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Components

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Antibody , 2 types, 4 molecules HCLD

#2: Antibody the heavy chain of Fab fragment of antibody 7D6


Mass: 23740.176 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Antibody the light chain of Fab fragment of antibody 7D6


Mass: 23619.990 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)

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Protein / Non-polymers , 2 types, 1188 molecules AB

#1: Protein Spike protein S1


Mass: 26503.807 Da / Num. of mol.: 2 / Fragment: UNP residues 319-541
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P0DTC2
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1186 / Source method: isolated from a natural source / Formula: H2O

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Sugars , 2 types, 4 molecules

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


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


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

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Details

Has ligand of interestN
Sequence detailsSome disordered residues located at aa 135-139 of Chains H and C.

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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: 2.3 Å3/Da / Density % sol: 46.55 %
Crystal growTemperature: 293.15 K / Method: evaporation
Details: PEG D5, 0.2M Potassium dihydrogen phosphate, 20% PEG3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 2, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 1.4→29.32 Å / Num. obs: 476102 / % possible obs: 94.7 % / Redundancy: 3.4 % / Biso Wilson estimate: 22.73 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.061 / Rpim(I) all: 0.039 / Net I/σ(I): 8.8
Reflection shellResolution: 1.4→1.44 Å / Redundancy: 2.7 % / Rmerge(I) obs: 1.247 / Num. unique obs: 17141 / CC1/2: 0.331 / Rpim(I) all: 0.936 / % possible all: 89.5

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
Aimlessdata reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6M0J, 6RCO

6m0j

6rco


Resolution: 1.4→22.32 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 25.42 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1807 3906 0.82 %
Rwork0.174 472196 -
obs0.174 476102 92.32 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 173.83 Å2 / Biso mean: 37.4867 Å2 / Biso min: 15.78 Å2
Refinement stepCycle: final / Resolution: 1.4→22.32 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9836 0 84 1186 11106
Biso mean--102.05 42.65 -
Num. residues----1266
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 28

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.4-1.420.36291350.3854149381507382
1.42-1.440.38091020.3693152081531083
1.44-1.450.3521360.3608158091594587
1.45-1.470.41331240.3467159381606287
1.47-1.490.34481430.336162421638588
1.49-1.520.3511170.3133164301654791
1.52-1.540.31751450.2948167981694391
1.54-1.570.32671260.2768168511697792
1.57-1.590.2821620.2656171301729295
1.59-1.620.30791390.2566171811732093
1.62-1.650.27331380.2405172441738294
1.65-1.690.25941450.2326172751742095
1.69-1.720.21951430.2236172141735795
1.72-1.760.2161560.2111173231747995
1.76-1.810.20931670.2044173081747595
1.81-1.860.20691390.19173561749595
1.86-1.910.18251140.1964172671738195
1.91-1.970.20521530.1825170301718393
1.97-2.040.2191510.1761173481749995
2.04-2.130.2211350.1691171221725794
2.13-2.220.20731390.1746172311737093
2.22-2.340.16591440.1682172151735994
2.34-2.490.17411460.1761172141736095
2.49-2.680.19791260.1718173421746894
2.68-2.950.12641500.1713168211697192
2.95-3.370.16871340.1603173241745895
3.37-4.240.14191470.1367171691731694
4.24-22.320.13961500.1371168681701892
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)
10.17970.08130.19320.5428-0.22180.1854-0.02040.00570.0495-0.09440.06280.07230.0284-0.0174-00.24810.01020.01930.1995-0.00080.1925-29.902-3.57244.0132
20.32130.52280.14640.94-0.02420.7333-0.01460.0305-0.0121-0.06260.0008-0.07880.02750.056300.22320.03050.02950.1745-0.00390.2002-12.34928.08174.9547
30.0998-0.13590.11250.0628-0.15310.11780.10140.08240.2266-0.01430.0227-0.0374-0.1946-0.1412-00.2152-0.01710.01060.22490.00010.2339-20.323117.384538.5589
40.03640.04040.00680.0410.04820.06380.03060.0152-0.0134-0.107-0.02710.0861-0.2193-0.002300.23650.0010.02770.22360.00130.2234-18.30716.532825.3201
50.0545-0.0854-0.04760.26530.02850.05230.0938-0.09350.0111-0.08570.07090.06450.55410.06010.00030.2104-0.0244-0.00850.209-0.00020.1717-21.5935.613136.5079
60.0634-0.1124-0.04760.18470.12860.07080.05090.14710.0217-0.19080.06920.09270.2997-0.275700.2475-0.0415-0.02180.27990.02640.2117-27.06197.837625.7013
70.1671-0.04830.11940.05740.0420.2585-0.02790.14130.1005-0.08190.10970.0436-0.033-0.33120.00030.2297-0.02270.01780.2590.00080.2373-27.687414.142529.92
80.1926-0.16790.1180.155-0.0770.04560.0718-0.079-0.0079-0.0156-0.0413-0.00710.0568-0.11990.00010.1945-0.01980.01780.2378-0.02110.1833-24.6879.994639.2575
90.0578-0.01490.02440.0157-0.03090.04750.1379-0.01690.0525-0.1769-0.0974-0.17980.0201-0.0653-0.00010.2990.00530.01580.1916-0.00920.1976-15.56984.292424.5961
10-0.00880.0122-0.01140.0638-0.00580.005-0.12190.0589-0.01970.0080.0435-0.0339-0.0363-0.19210.00010.22560.02750.00530.2663-0.02560.2227-23.624518.09153.0596
110.05580.1132-0.05930.1591-0.1580.1115-0.1107-0.2553-0.17070.0480.16690.0523-0.0532-0.06150.00150.13740.0507-0.01040.2766-0.02760.2137-6.685911.811169.9639
120.1504-0.031-0.14520.5993-0.00440.18110.08990.1242-0.1121-0.0658-0.05920.02560.08050.087-00.15060.046-0.01020.2724-0.0320.2312-8.647712.227560.9368
130.21640.0258-0.22690.1514-0.03010.1849-0.1271-0.12710.25440.05430.0431-0.1493-0.07370.0658-0.00030.16610.0598-0.02270.2673-0.02580.2504-0.804717.86366.6693
140.07110.11660.02220.36930.23770.21880.0832-0.27030.0915-0.14780.1430.0467-0.0498-0.00850.00740.1910.0595-0.03670.3062-0.02580.2624-5.484520.905569.5098
150.1764-0.14330.1770.35990.33260.36310.055-0.1876-0.20750.29540.03890.22960.446-0.19140.00560.30580.008-0.00370.20280.01020.2511-12.7242-11.255740.387
160.5237-0.17220.20810.97070.23460.5102-0.11760.1266-0.00020.0650.07410.0543-0.02480.1207-0.00010.2032-0.0486-0.00530.2068-0.01020.2167-11.7912-7.126631.9568
170.37820.3684-0.10690.3043-0.08890.0317-0.2422-0.04890.0145-0.01770.2047-0.02790.25450.03950.00070.40610.1144-0.03230.2867-0.01650.239-3.6201-8.41153.4516
18-0.1088-0.14950.07230.1945-0.24650.3480.0279-0.05510.0650.00030.09630.03010.06730.0776-00.21470.0624-0.02640.2148-0.03120.2211-9.73114.702670.1637
190.0504-0.02180.01090.0713-0.01620.00410.2533-0.0621-0.19410.2597-0.31920.13650.23230.024-0.00050.3208-0.05350.00190.2587-0.03140.2818-17.42-4.035276.395
200.1223-0.0949-0.05490.0824-0.06310.23760.2550.11720.0356-0.1952-0.09940.02240.2035-0.16420.01330.24530.0552-0.00990.2605-0.02910.23-9.2296-0.292459.9267
210.0284-0.0886-0.06640.14370.06360.36110.05620.1425-0.11630.1683-0.03150.04780.396-0.43520.00010.26070.06590.00650.2868-0.00460.2213-16.93163.942877.6845
220.13180.1675-0.19410.1382-0.1430.1515-0.0536-0.1432-0.02560.20560.02520.05220.52420.1697-0.00030.39560.0984-0.02180.2335-0.01660.2095-7.7199-4.375476.5554
230.0475-0.06020.0354-0.0340.00050.08720.04220.08540.0314-0.08180.02110.0159-0.01320.00960.00040.2054-0.04520.02420.2172-0.03480.19120.6151-43.397493.5485
240.2052-0.22080.0750.33450.17730.1944-0.0688-0.0364-0.01310.1032-0.0275-0.1143-0.03140.0769-0.00010.28460.00310.03580.20280.02020.1954-6.9063-47.4602101.8749
250.1337-0.1123-0.06040.07110.03390.01660.2339-0.06340.33230.0637-0.0437-0.5228-0.0024-0.0660.01160.3981-0.0766-0.10260.24210.00180.3649-7.3979-57.8758101.647
260.05310.0595-0.1180.1309-0.13320.1106-0.1172-0.0394-0.02610.09440.0607-0.00990.3291-0.0475-00.2616-0.03370.02880.2059-0.00740.1904-17.4936-39.8614100.5495
270.2398-0.2875-0.09970.20310.15050.2305-0.01870.0224-0.02790.27940.04780.0640.17240.048300.2693-0.0420.03380.18020.01550.2128-19.9956-41.2625101.2414
280.0671-0.05930.08440.0315-0.00920.0536-0.08290.09270.01250.06660.07550.0936-0.283-0.1235-00.253-0.016-0.00040.2327-0.01240.2425-22.35-26.995997.4352
290.1965-0.06960.07660.2386-0.19380.01640.1003-0.00860.0355-0.2702-0.019-0.00590.004-0.033700.2462-0.0011-0.01990.20530.0070.2337-31.1832-28.507288.8026
300.1841-0.21530.23920.2315-0.250.2726-0.0195-0.02780.02950.20910.00850.00510.12210.0052-0.00010.2882-0.02570.01850.1647-0.01360.1868-13.0187-41.4539100.7757
310.08590.1160.07030.05540.09210.06940.0631-0.13790.16510.0133-0.02840.0506-0.16530.1727-0.00010.22750.0140.02360.22760.00840.2289-13.2996-26.581463.6503
320.024-0.0173-0.01030.0091-0.01530.03580.0081-0.003-0.03740.0971-0.0176-0.106-0.1819-0.0676-00.25210.00920.03020.22710.00390.2218-15.324-27.414676.9066
330.08520.1356-0.05070.1844-0.04060.03970.04470.06690.04690.08510.1754-0.08070.4871-0.01870.00010.20780.0159-0.00670.2023-0.00740.1717-12.0147-38.345165.6988
340.08530.1255-0.0590.1751-0.13340.0880.0249-0.063-0.02380.1270.0616-0.0840.3110.3474-0.00010.23930.0434-0.02460.2596-0.02620.2004-6.5527-36.103776.5217
350.1021-0.00740.04360.0456-0.11610.2693-0.0058-0.06260.03530.09570.01330.0292-0.05260.31490.00020.21960.02140.01940.26480.00310.2367-5.9406-29.796772.3002
360.19210.15440.12940.1120.05030.07470.01140.1171-0.03340.0014-0.07610.00060.06870.14230.00010.17760.01620.01060.24190.01860.1884-8.9406-33.965862.9651
370.1528-0.0135-0.03030.030.0330.03040.1109-0.00150.08520.1962-0.09760.25980.0285-0.0675-0.00020.2951-0.02070.0220.19160.00360.1919-18.0498-39.664277.6316
380.0032-0.0575-0.02420.04380.00820.0021-0.1699-0.04950.01670.012-0.0046-0.0301-0.0020.25690.00020.2385-0.0311-0.00250.28590.04660.2356-10.0014-25.891149.1617
390.0402-0.05060.03860.08520.07260.1185-0.16190.1198-0.1222-0.11280.1679-0.0873-0.0889-0.01690.00470.1582-0.0558-0.0150.27770.0270.2153-26.9304-32.215632.2615
400.18710.0397-0.16410.5495-0.24770.21660.1019-0.1291-0.07620.0808-0.0673-0.03480.0407-0.1168-00.1584-0.0447-0.01390.26970.03230.2271-24.9736-31.780641.2836
410.13040.0293-0.12030.1323-0.00560.0979-0.1250.17370.1322-0.06960.12980.0589-0.13740.0038-0.00010.1817-0.0574-0.02290.29080.03610.2535-32.8188-26.160235.5454
420.0375-0.0349-0.00790.1707-0.12930.11690.04060.2460.10910.23110.08210.0424-0.01620.2007-0.00270.2201-0.0613-0.0310.30080.04970.2889-28.1392-23.081432.705
430.18970.250.09660.4098-0.33530.2660.11960.0641-0.2377-0.43510.0109-0.28590.45380.1020.0020.3048-0.0228-0.00730.21410.01490.2544-20.9172-55.225361.8435
440.23570.1093-0.11570.1565-0.10570.0798-0.0673-0.0811-0.0403-0.10840.0451-0.13240.11180.0031-0.00010.22320.0466-0.01010.17770.00470.2352-17.9853-54.312970.9775
450.22150.12630.06160.11490.10460.162-0.1581-0.20610.1410.00590.1220.1464-0.2485-0.25110.00010.19980.0821-0.01210.27370.00880.2437-27.156-46.44671.463
460.33150.11410.18970.4886-0.3760.2821-0.1385-0.11930.0116-0.14820.0761-0.10880.0139-0.1358-0.00070.18940.0402-0.01050.2083-0.00120.2337-20.9479-51.898169.2654
470.0863-0.0956-0.07780.03730.0470.0532-0.13750.05690.08290.06490.12330.07270.4935-0.06860.00020.398-0.111-0.03190.27820.02050.2247-30.0206-52.404848.7708
48-0.10470.14720.07060.11380.11340.28450.00560.04560.0411-0.04450.0621-0.0480.102-0.066900.2399-0.0652-0.02430.22430.0340.2359-23.8946-39.323932.0585
490.0029-0.00440.00260.06510.02270.00480.24890.0827-0.0819-0.1429-0.1459-0.19340.2149-0.03330.00030.33640.0467-0.00370.27680.03290.3078-16.2097-48.066125.8159
500.18590.1548-0.14590.1557-0.08880.14410.3799-0.03420.03460.2694-0.1444-0.00910.20310.0850.0360.2536-0.0506-0.0160.24770.02070.2092-24.396-44.308142.2952
510.04240.0539-0.08780.1713-0.0680.43390.0366-0.1446-0.1464-0.1999-0.0702-0.08140.42110.46340.00140.2468-0.06320.01850.28580.00410.224-16.6864-40.097824.5256
520.0825-0.0981-0.11020.11920.1510.1594-0.04990.1158-0.0475-0.1273-0.0823-0.17650.3927-0.0919-0.00030.3891-0.0981-0.02180.23710.02310.2174-25.9147-48.40925.6604
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 324 through 393 )A324 - 393
2X-RAY DIFFRACTION2chain 'A' and (resid 394 through 527 )A394 - 527
3X-RAY DIFFRACTION3chain 'H' and (resid 1 through 17 )H1 - 17
4X-RAY DIFFRACTION4chain 'H' and (resid 18 through 32 )H18 - 32
5X-RAY DIFFRACTION5chain 'H' and (resid 33 through 44 )H33 - 44
6X-RAY DIFFRACTION6chain 'H' and (resid 45 through 60 )H45 - 60
7X-RAY DIFFRACTION7chain 'H' and (resid 61 through 83 )H61 - 83
8X-RAY DIFFRACTION8chain 'H' and (resid 84 through 98 )H84 - 98
9X-RAY DIFFRACTION9chain 'H' and (resid 99 through 113 )H99 - 113
10X-RAY DIFFRACTION10chain 'H' and (resid 114 through 126 )H114 - 126
11X-RAY DIFFRACTION11chain 'H' and (resid 127 through 152 )H127 - 152
12X-RAY DIFFRACTION12chain 'H' and (resid 153 through 191 )H153 - 191
13X-RAY DIFFRACTION13chain 'H' and (resid 192 through 209 )H192 - 209
14X-RAY DIFFRACTION14chain 'H' and (resid 210 through 220 )H210 - 220
15X-RAY DIFFRACTION15chain 'L' and (resid 1 through 18 )L1 - 18
16X-RAY DIFFRACTION16chain 'L' and (resid 19 through 102 )L19 - 102
17X-RAY DIFFRACTION17chain 'L' and (resid 103 through 114 )L103 - 114
18X-RAY DIFFRACTION18chain 'L' and (resid 115 through 145 )L115 - 145
19X-RAY DIFFRACTION19chain 'L' and (resid 146 through 156 )L146 - 156
20X-RAY DIFFRACTION20chain 'L' and (resid 157 through 175 )L157 - 175
21X-RAY DIFFRACTION21chain 'L' and (resid 176 through 198 )L176 - 198
22X-RAY DIFFRACTION22chain 'L' and (resid 199 through 214 )L199 - 214
23X-RAY DIFFRACTION23chain 'B' and (resid 324 through 353 )B324 - 353
24X-RAY DIFFRACTION24chain 'B' and (resid 354 through 380 )B354 - 380
25X-RAY DIFFRACTION25chain 'B' and (resid 381 through 393 )B381 - 393
26X-RAY DIFFRACTION26chain 'B' and (resid 394 through 409 )B394 - 409
27X-RAY DIFFRACTION27chain 'B' and (resid 410 through 442 )B410 - 442
28X-RAY DIFFRACTION28chain 'B' and (resid 443 through 459 )B443 - 459
29X-RAY DIFFRACTION29chain 'B' and (resid 460 through 494 )B460 - 494
30X-RAY DIFFRACTION30chain 'B' and (resid 495 through 527 )B495 - 527
31X-RAY DIFFRACTION31chain 'C' and (resid 1 through 17 )C1 - 17
32X-RAY DIFFRACTION32chain 'C' and (resid 18 through 32 )C18 - 32
33X-RAY DIFFRACTION33chain 'C' and (resid 33 through 44 )C33 - 44
34X-RAY DIFFRACTION34chain 'C' and (resid 45 through 60 )C45 - 60
35X-RAY DIFFRACTION35chain 'C' and (resid 61 through 83 )C61 - 83
36X-RAY DIFFRACTION36chain 'C' and (resid 84 through 98 )C84 - 98
37X-RAY DIFFRACTION37chain 'C' and (resid 99 through 113 )C99 - 113
38X-RAY DIFFRACTION38chain 'C' and (resid 114 through 126 )C114 - 126
39X-RAY DIFFRACTION39chain 'C' and (resid 127 through 152 )C127 - 152
40X-RAY DIFFRACTION40chain 'C' and (resid 153 through 191 )C153 - 191
41X-RAY DIFFRACTION41chain 'C' and (resid 192 through 209 )C192 - 209
42X-RAY DIFFRACTION42chain 'C' and (resid 210 through 220 )C210 - 220
43X-RAY DIFFRACTION43chain 'D' and (resid 1 through 18 )D1 - 18
44X-RAY DIFFRACTION44chain 'D' and (resid 19 through 38 )D19 - 38
45X-RAY DIFFRACTION45chain 'D' and (resid 39 through 61 )D39 - 61
46X-RAY DIFFRACTION46chain 'D' and (resid 62 through 102 )D62 - 102
47X-RAY DIFFRACTION47chain 'D' and (resid 103 through 114 )D103 - 114
48X-RAY DIFFRACTION48chain 'D' and (resid 115 through 145 )D115 - 145
49X-RAY DIFFRACTION49chain 'D' and (resid 146 through 156 )D146 - 156
50X-RAY DIFFRACTION50chain 'D' and (resid 157 through 175 )D157 - 175
51X-RAY DIFFRACTION51chain 'D' and (resid 176 through 198 )D176 - 198
52X-RAY DIFFRACTION52chain 'D' and (resid 199 through 214 )D199 - 214

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