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- PDB-7pr0: Crystal structure of the receptor binding domain of SARS-CoV-2 Sp... -

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Basic information

Entry
Database: PDB / ID: 7pr0
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab
Components
  • FD-5D Fab heavy chain
  • FD-5D Fab light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 antibody / receptor-binding-domain / RBD / spike / neutralisation / FI-3A / FD-11A / FD-5D / VIRAL PROTEIN/IMMUNE SYSTEM
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 / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / 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
NITRATE ION / Spike glycoprotein
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.92 Å
AuthorsZhou, D. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, China, 2items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 China
CitationJournal: Theranostics / Year: 2022
Title: Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Authors: Kuan-Ying A Huang / Daming Zhou / Tiong Kit Tan / Charles Chen / Helen M E Duyvesteyn / Yuguang Zhao / Helen M Ginn / Ling Qin / Pramila Rijal / Lisa Schimanski / Robert Donat / Adam Harding ...Authors: Kuan-Ying A Huang / Daming Zhou / Tiong Kit Tan / Charles Chen / Helen M E Duyvesteyn / Yuguang Zhao / Helen M Ginn / Ling Qin / Pramila Rijal / Lisa Schimanski / Robert Donat / Adam Harding / Javier Gilbert-Jaramillo / William James / Julia A Tree / Karen Buttigieg / Miles Carroll / Sue Charlton / Chia-En Lien / Meei-Yun Lin / Cheng-Pin Chen / Shu-Hsing Cheng / Xiaorui Chen / Tzou-Yien Lin / Elizabeth E Fry / Jingshan Ren / Che Ma / Alain R Townsend / David I Stuart /
Abstract: Administration of potent anti-receptor-binding domain (RBD) monoclonal antibodies has been shown to curtail viral shedding and reduce hospitalization in patients with SARS-CoV-2 infection. However, ... Administration of potent anti-receptor-binding domain (RBD) monoclonal antibodies has been shown to curtail viral shedding and reduce hospitalization in patients with SARS-CoV-2 infection. However, the structure-function analysis of potent human anti-RBD monoclonal antibodies and its links to the formulation of antibody cocktails remains largely elusive. Previously, we isolated a panel of neutralizing anti-RBD monoclonal antibodies from convalescent patients and showed their neutralization efficacy . Here, we elucidate the mechanism of action of antibodies and dissect antibodies at the epitope level, which leads to a formation of a potent antibody cocktail. We found that representative antibodies which target non-overlapping epitopes are effective against wild type virus and recently emerging variants of concern, whilst being encoded by antibody genes with few somatic mutations. Neutralization is associated with the inhibition of binding of viral RBD to ACE2 and possibly of the subsequent fusion process. Structural analysis of representative antibodies, by cryo-electron microscopy and crystallography, reveals that they have some unique aspects that are of potential value while sharing some features in common with previously reported neutralizing monoclonal antibodies. For instance, one has a common VH 3-53 public variable region yet is unusually resilient to mutation at residue 501 of the RBD. We evaluate the efficacy of an antibody cocktail consisting of two potent non-competing anti-RBD antibodies in a Syrian hamster model. We demonstrate that the cocktail prevents weight loss, reduces lung viral load and attenuates pulmonary inflammation in hamsters in both prophylactic and therapeutic settings. Although neutralization of one of these antibodies is abrogated by the mutations of variant B.1.351, it is also possible to produce a bi-valent cocktail of antibodies both of which are resilient to variants B.1.1.7, B.1.351 and B.1.617.2. These findings support the up-to-date and rational design of an anti-RBD antibody cocktail as a therapeutic candidate against COVID-19.
History
DepositionSep 20, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 2, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 31, 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

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Assembly

Deposited unit
E: Spike protein S1
L: FD-5D Fab light chain
H: FD-5D Fab heavy chain
A: Spike protein S1
B: FD-5D Fab light chain
C: FD-5D Fab heavy chain
D: Spike protein S1
F: FD-5D Fab light chain
G: FD-5D Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)217,06023
Polymers215,6329
Non-polymers1,42814
Water0
1
E: Spike protein S1
L: FD-5D Fab light chain
H: FD-5D Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,58211
Polymers71,8773
Non-polymers7048
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Spike protein S1
B: FD-5D Fab light chain
C: FD-5D Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,2536
Polymers71,8773
Non-polymers3753
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
D: Spike protein S1
F: FD-5D Fab light chain
G: FD-5D Fab heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,2266
Polymers71,8773
Non-polymers3493
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)231.308, 146.064, 78.578
Angle α, β, γ (deg.)90.000, 103.680, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and ((resid 329 and (name N or name...
d_2ens_1(chain "D" and (resid 329 through 339 or resid 341...
d_3ens_1(chain "E" and (resid 329 through 339 or resid 341...
d_1ens_2(chain "B" and (resid 1 through 23 or resid 25...
d_2ens_2(chain "F" and (resid 1 through 23 or resid 25...
d_3ens_2(chain "L" and (resid 1 through 23 or resid 25...
d_1ens_3(chain "C" and (resid 2 through 120 or resid 122...
d_2ens_3(chain "H" and (resid 2 through 120 or resid 122...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1HISGLYG2 - 12
d_12ens_1VALVALG14 - 80
d_13ens_1GLNLEUG82 - 134
d_14ens_1PROGLYG136 - 158
d_15ens_1ASNCYSG160 - 198
d_21ens_1HISGLYM1 - 11
d_22ens_1VALVALM13 - 79
d_23ens_1GLNLEUM81 - 133
d_24ens_1PROGLYM135 - 157
d_25ens_1ASNCYSM159 - 197
d_31ens_1HISGLYA1 - 11
d_32ens_1VALVALA13 - 79
d_33ens_1GLNLEUA81 - 133
d_34ens_1PROGLYA135 - 157
d_35ens_1ASNCYSA159 - 197
d_11ens_2ASPCYSI1 - 23
d_12ens_2SERGLYI25 - 106
d_13ens_2GLYILEI108 - 124
d_14ens_2PROASPI126 - 129
d_15ens_2GLNARGI131 - 149
d_16ens_2ALASERI151 - 175
d_17ens_2ASPHISI177 - 196
d_18ens_2VALASNI198 - 217
d_21ens_2ASPCYSO1 - 23
d_22ens_2SERGLYO25 - 106
d_23ens_2GLYILEO108 - 124
d_24ens_2PROASPO126 - 129
d_25ens_2GLNARGO131 - 149
d_26ens_2ALASERO151 - 175
d_27ens_2ASPHISO177 - 196
d_28ens_2VALASNO198 - 217
d_31ens_2ASPCYSC1 - 23
d_32ens_2SERGLYC25 - 106
d_33ens_2GLYILEC108 - 124
d_34ens_2PROASPC126 - 129
d_35ens_2GLNARGC131 - 149
d_36ens_2ALASERC151 - 175
d_37ens_2ASPHISC177 - 196
d_38ens_2VALASNC198 - 217
d_11ens_3VALGLYK1 - 119
d_12ens_3GLYLYSK121 - 219
d_13ens_3VALPROK221 - 223
d_14ens_3NO3NO3L
d_21ens_3VALGLYE1 - 119
d_22ens_3GLYSERE121 - 143
d_23ens_3GLYLYSE149 - 224
d_24ens_3VALPROE226 - 228
d_25ens_3NO3NO3F

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.517021319305, -0.389051163868, 0.76244878338), (0.619657718634, 0.444387908813, 0.646949532992), (-0.590519489197, 0.806943974755, 0.0113205337367)-71.0838227528, 74.4003681667, -89.0329147731
2given(-0.454496182575, 0.598093280289, -0.66008912133), (-0.427125230111, 0.50396352939, 0.750722850889), (0.781663135774, 0.623141387743, 0.0264112297071)-131.931080547, 4.61292001927, 9.65714353643
3given(-0.579041884419, -0.277190657646, 0.766730614624), (0.633912966508, 0.438325024731, 0.637201321081), (-0.512703468861, 0.855006732142, -0.0780937962312)-82.3583265609, 74.6614615432, -91.6059285096
4given(-0.39849436406, 0.590015974014, -0.702198969111), (-0.387328184632, 0.585733814679, 0.711964026992), (0.83137182969, 0.555695104126, -0.00488180786978)-129.618324935, -0.567236759011, 15.9929129835
5given(-0.405311359985, 0.612632211226, -0.678531115893), (-0.384490947507, 0.559151830791, 0.734517488838), (0.829390989071, 0.558597353996, 0.00892095039175)-130.749617841, 2.81356039806, 16.5954610947

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Components

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Antibody , 2 types, 6 molecules LBFHCG

#2: Antibody FD-5D Fab light chain


Mass: 24189.945 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody FD-5D Fab heavy chain


Mass: 24536.383 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 6 molecules EAD

#1: Protein Spike protein S1


Mass: 23150.891 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2
#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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3 / 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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Non-polymers , 4 types, 11 molecules

#5: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO4
#6: Chemical ChemComp-NO3 / NITRATE ION / Nitrate


Mass: 62.005 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: NO3
#7: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#8: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3

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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: 2.99 Å3/Da / Density % sol: 58.87 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 10% (w/v) PEG 20 000, 20% (v/v) PEG MME 550, 0.03 M of each NPS (NaNO3; Na2HPO4; (NH4)2SO4) and 0.1 M bicine/Trizma base pH 8.5.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 1, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.92→73 Å / Num. obs: 54960 / % possible obs: 99.8 % / Redundancy: 16.6 % / Biso Wilson estimate: 104.99 Å2 / CC1/2: 0.988 / Rmerge(I) obs: 0.284 / Rpim(I) all: 0.072 / Net I/σ(I): 5.7
Reflection shellResolution: 2.92→2.97 Å / Mean I/σ(I) obs: 0.2 / Num. unique obs: 2589 / CC1/2: 0.341 / % possible all: 95.6

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Processing

Software
NameVersionClassification
GDA1.19_4092data collection
PHENIX1.19_4092refinement
xia2data reduction
xia2data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7PQZ

7pqz


Resolution: 2.92→71.5 Å / SU ML: 0.548 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 33.6018
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2506 2524 4.96 %
Rwork0.2136 48404 -
obs0.2154 50928 92.47 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 125.74 Å2
Refinement stepCycle: LAST / Resolution: 2.92→71.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14508 0 84 0 14592
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003414946
X-RAY DIFFRACTIONf_angle_d0.635120342
X-RAY DIFFRACTIONf_chiral_restr0.04522250
X-RAY DIFFRACTIONf_plane_restr0.00482617
X-RAY DIFFRACTIONf_dihedral_angle_d11.61535278
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.701129452934
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.655537785661
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.976712366934
ens_2d_3BX-RAY DIFFRACTIONTorsion NCS0.869654298697
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS0.661447794193
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.92-2.980.5636270.545431X-RAY DIFFRACTION15.2
2.98-3.040.4207830.50131576X-RAY DIFFRACTION54.2
3.04-3.10.44911390.44412756X-RAY DIFFRACTION95.32
3.1-3.170.44561660.4082895X-RAY DIFFRACTION99.9
3.17-3.250.39211420.38452915X-RAY DIFFRACTION99.97
3.25-3.340.33211480.34452874X-RAY DIFFRACTION99.9
3.34-3.440.37831610.31882895X-RAY DIFFRACTION99.9
3.44-3.550.34061420.28722885X-RAY DIFFRACTION99.9
3.55-3.680.33291360.27812930X-RAY DIFFRACTION99.8
3.68-3.830.28921360.25032894X-RAY DIFFRACTION100
3.83-40.26561540.22212909X-RAY DIFFRACTION99.93
4-4.210.2351560.1992910X-RAY DIFFRACTION100
4.21-4.470.21721350.17582924X-RAY DIFFRACTION100
4.47-4.820.19851590.1622883X-RAY DIFFRACTION99.93
4.82-5.30.20271630.16822926X-RAY DIFFRACTION100
5.31-6.070.24721520.18092923X-RAY DIFFRACTION100
6.07-7.650.22391630.19442917X-RAY DIFFRACTION100
7.65-71.50.19671620.16312961X-RAY DIFFRACTION99.43
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)
13.89176195829-0.234366257224-0.5566938307355.7885806746-1.118163383993.170561818460.7754958983911.58556663849-0.9134713662970.705256989287-0.435159814404-1.081483838932.245471838551.12393355314-0.09509487698091.85966673050.527424553059-0.3690245028981.16984188985-0.2159165407211.25376097972-80.034738324121.043863912526.9474827893
20.6661356949461.757270452981.502514531746.607049100034.920492327893.58892758795-0.3875559105641.57722669027-1.68237075797-2.759152733571.224496989-0.9072208080341.264605079272.88439494159-0.6605947302442.854088693420.4422291221660.1459354798791.81410653776-0.4062097285321.63082858038-88.063608445314.877872759121.7373659368
34.19163964942-0.446940282713-0.8044402229781.84579563322-2.988287599586.03987653325-1.858188299851.20090789436-0.37126881626-0.1431388519240.72049350169-0.5569329325661.311146931042.148845408281.218037481991.399467097650.04756244021190.04076572477091.68644210755-0.2902822297421.33114599462-79.946031907817.617085804824.5736481503
41.34818910101-0.2277148135171.8595880382.186351735651.898367811474.129757853060.341867165499-0.267046587208-0.457248561904-1.0682534191-0.0564816180821-0.538992746214-0.705284066089-0.967384460766-0.295295833740.9714205294770.1123189752430.2173842149631.25778927892-0.01792913729291.05869129903-48.256789962333.0615330757-8.03480450237
53.802269537222.306218385491.915813433633.055153708590.594131009366.92581667175-0.428643436288-0.121683473487-0.61314988764-0.264066783561-0.198628206144-0.6304384624281.36706231439-0.671467515535-0.09480418884520.8932872800620.1167959009330.2842276283120.8626481806650.01521190349470.893005957747-56.629963477132.5970483091-6.28828902992
62.158068204991.192699271322.199093491021.185109597871.13226259083.29684078958-0.0297785672803-1.03051482625-0.765266128364-0.209130872144-0.0616432711701-0.05398756964951.24784526229-0.03621910781750.131840594030.934278768280.2224414951870.1841254953251.118461557530.304687215450.946659420017-61.571501774827.7364370206-1.4484074182
72.420888943530.210411765987-0.004578347860054.664941241251.480575786022.48811580991-0.900928061446-0.4667038562240.3604675371820.923784990467-0.08406960318621.334988936080.4018835902-2.73084681967-0.08036052387670.7503072410850.1987023558870.1151959495551.865428521720.1848111361121.15345145745-67.859308056935.096972050311.0491094662
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560.4048495196770.06212149703520.1605797955144.85580320875-0.2875359368826.13703265580.641997504968-0.99123061466-1.180381716660.7742282460470.28517502579-0.0660870352731.21087764433-1.87815940012-0.928949934411.63211295623-0.38393252072-0.4850233899021.531950136750.3120057668791.57678505075-95.37015269715.347142674232.6745619199
571.02367299994-0.0718576544937-0.879529516492-0.101806564415-0.09820615135290.756781141344-0.2866991239511.688009296080.84398051910.752216690699-0.530557825136-0.3560863650730.0308870363254-1.34806722542-1.528501301131.50563555744-2.443979044090.1360027128450.365502443743.381291082641.35638437768-102.74971612510.709403273637.9910338107
581.175793118770.805305749395-1.061443039311.88079535791.338411815143.81129556590.245036440579-0.119868859472-0.58584347309-0.433227041649-0.0391990792628-0.4691277976490.891284160501-0.2009123273190.6079499694610.8262833571160.1037668671470.1131003382381.145133210460.083716713860.822371075135-80.113768819840.448273542915.1757277011
592.31791477297-1.694972774763.489892059833.93967624137-0.2601323284079.1519974206-0.179408037466-0.3145976757380.1866806144740.0165967969594-0.2562779247030.222556698263-1.21435454621-0.4723410534090.3134160569970.8416403373620.242214561095-0.02536088805811.37349056369-0.1531930492330.721300928574-86.447303575350.549961910214.2428904392
601.74302278402-1.904884955650.5496488289561.29159330994-0.3923902126973.74440110402-0.331237613029-0.322601265828-0.05782688569870.263964235093-0.1603198320750.0193335163796-0.887366552564-0.1187628089960.5252330703120.9222296861040.113811820688-0.02870340539171.52487226969-0.07497880698890.752001860054-86.285021913349.407559921916.070791257
615.50413943101-1.467946569673.409875048774.63301427841-2.924039814886.00515854220.1792788541080.600680747763-1.01588213677-0.3686016833690.2642025009721.32536380622-0.316584787441-1.23941379588-0.536738762780.7768861286470.3040922379180.02428488726381.541522494110.09222999777870.733523101935-93.10939242246.70158721548.21415410829
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'G' and (resid 126 through 170 )GQ126 - 170126 - 153
22chain 'G' and (resid 171 through 188 )GQ171 - 188154 - 171
33chain 'G' and (resid 189 through 221 )GQ189 - 221172 - 191
44chain 'E' and (resid 329 through 349 )EA329 - 3491 - 21
55chain 'E' and (resid 350 through 370 )EA350 - 37022 - 42
66chain 'E' and (resid 371 through 409 )EA371 - 40943 - 81
77chain 'E' and (resid 410 through 421 )EA410 - 42182 - 93
88chain 'E' and (resid 422 through 469 )EA422 - 46994 - 141
99chain 'E' and (resid 470 through 479 )EA470 - 479142 - 151
1010chain 'E' and (resid 480 through 494 )EA480 - 494152 - 166
1111chain 'E' and (resid 495 through 506 )EA495 - 506167 - 178
1212chain 'E' and (resid 507 through 525 )EA507 - 525179 - 197
1313chain 'L' and (resid 1 through 18 )LC1 - 181 - 18
1414chain 'L' and (resid 19 through 37 )LC19 - 3719 - 37
1515chain 'L' and (resid 38 through 53 )LC38 - 5338 - 53
1616chain 'L' and (resid 54 through 66 )LC54 - 6654 - 66
1717chain 'L' and (resid 67 through 80 )LC67 - 8067 - 80
1818chain 'L' and (resid 81 through 95 )LC81 - 9581 - 95
1919chain 'L' and (resid 96 through 120 )LC96 - 12096 - 120
2020chain 'L' and (resid 121 through 157 )LC121 - 157121 - 157
2121chain 'L' and (resid 158 through 170 )LC158 - 170158 - 170
2222chain 'L' and (resid 171 through 194 )LC171 - 194171 - 194
2323chain 'L' and (resid 195 through 205 )LC195 - 205195 - 205
2424chain 'L' and (resid 206 through 221 )LC206 - 221206 - 221
2525chain 'H' and (resid 2 through 135 )HE2 - 1351 - 134
2626chain 'H' and (resid 136 through 150 )HE136 - 150135 - 149
2727chain 'H' and (resid 151 through 229 )HE151 - 229150 - 228
2828chain 'A' and (resid 328 through 349 )AG328 - 3491 - 22
2929chain 'A' and (resid 350 through 375 )AG350 - 37523 - 48
3030chain 'A' and (resid 376 through 469 )AG376 - 46949 - 142
3131chain 'A' and (resid 470 through 526 )AG470 - 526143 - 199
3232chain 'B' and (resid 1 through 18 )BI1 - 181 - 18
3333chain 'B' and (resid 19 through 37 )BI19 - 3719 - 37
3434chain 'B' and (resid 38 through 66 )BI38 - 6638 - 66
3535chain 'B' and (resid 67 through 120 )BI67 - 12067 - 120
3636chain 'B' and (resid 121 through 135 )BI121 - 135121 - 135
3737chain 'B' and (resid 136 through 181 )BI136 - 181136 - 181
3838chain 'B' and (resid 182 through 219 )BI182 - 219182 - 219
3939chain 'C' and (resid 2 through 44 )CK2 - 441 - 43
4040chain 'C' and (resid 45 through 76 )CK45 - 7644 - 75
4141chain 'C' and (resid 77 through 109 )CK77 - 10976 - 108
4242chain 'C' and (resid 110 through 161 )CK110 - 161109 - 155
4343chain 'C' and (resid 162 through 204 )CK162 - 204156 - 198
4444chain 'C' and (resid 205 through 229 )CK205 - 229199 - 223
4545chain 'D' and (resid 329 through 349 )DM329 - 3491 - 21
4646chain 'D' and (resid 350 through 364 )DM350 - 36422 - 36
4747chain 'D' and (resid 365 through 375 )DM365 - 37537 - 47
4848chain 'D' and (resid 376 through 421 )DM376 - 42148 - 93
4949chain 'D' and (resid 422 through 459 )DM422 - 45994 - 131
5050chain 'D' and (resid 460 through 479 )DM460 - 479132 - 151
5151chain 'D' and (resid 480 through 494 )DM480 - 494152 - 166
5252chain 'D' and (resid 495 through 525 )DM495 - 525167 - 197
5353chain 'F' and (resid 1 through 18 )FO1 - 181 - 18
5454chain 'F' and (resid 19 through 80 )FO19 - 8019 - 80
5555chain 'F' and (resid 81 through 120 )FO81 - 12081 - 120
5656chain 'F' and (resid 121 through 194 )FO121 - 194121 - 194
5757chain 'F' and (resid 195 through 217 )FO195 - 217195 - 217
5858chain 'G' and (resid 1 through 17 )GQ1 - 171 - 17
5959chain 'G' and (resid 18 through 76 )GQ18 - 7618 - 76
6060chain 'G' and (resid 77 through 109 )GQ77 - 10977 - 109
6161chain 'G' and (resid 110 through 125 )GQ110 - 125110 - 125

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