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- PDB-8hrd: Crystal structure of the receptor binding domain of SARS-CoV-2 De... -

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Basic information

Entry
Database: PDB / ID: 8hrd
TitleCrystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
Components
  • IMCAS74 Fab heavy chain
  • IMCAS74 Fab light chain
  • Spike protein S1
  • W14 Fab heavy chain
  • W14 Fab light chain
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / complex / VIRAL PROTEIN / 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 / 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 / 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: 2.86 Å
AuthorsZhao, R.C. / Wu, L.L. / Han, P.
Funding support China, 1items
OrganizationGrant numberCountry
Chinese Academy of SciencesXDB29010202 China
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2023
Title: Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Authors: Rao, X. / Zhao, R. / Tong, Z. / Guo, S. / Peng, W. / Liu, K. / Li, S. / Wu, L. / Tong, J. / Chai, Y. / Han, P. / Wang, F. / Jia, P. / Li, Z. / Zhao, X. / Li, D. / Zhang, R. / Zhang, X. / ...Authors: Rao, X. / Zhao, R. / Tong, Z. / Guo, S. / Peng, W. / Liu, K. / Li, S. / Wu, L. / Tong, J. / Chai, Y. / Han, P. / Wang, F. / Jia, P. / Li, Z. / Zhao, X. / Li, D. / Zhang, R. / Zhang, X. / Zou, W. / Li, W. / Wang, Q. / Gao, G.F. / Wu, Y. / Dai, L. / Gao, F.
History
DepositionDec 15, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Dec 20, 2023Provider: repository / Type: Initial release
Revision 1.1Dec 27, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike protein S1
O: IMCAS74 Fab heavy chain
P: IMCAS74 Fab light chain
D: W14 Fab heavy chain
F: W14 Fab light chain
B: Spike protein S1
C: IMCAS74 Fab heavy chain
E: IMCAS74 Fab light chain
G: W14 Fab heavy chain
H: W14 Fab light chain
K: Spike protein S1
L: IMCAS74 Fab heavy chain
M: IMCAS74 Fab light chain
N: W14 Fab heavy chain
Q: W14 Fab light chain
T: Spike protein S1
W: IMCAS74 Fab heavy chain
X: IMCAS74 Fab light chain
Y: W14 Fab heavy chain
Z: W14 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)487,97324
Polymers487,08820
Non-polymers8854
Water1,820101
1
A: Spike protein S1
O: IMCAS74 Fab heavy chain
P: IMCAS74 Fab light chain
D: W14 Fab heavy chain
F: W14 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)121,9936
Polymers121,7725
Non-polymers2211
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Spike protein S1
C: IMCAS74 Fab heavy chain
E: IMCAS74 Fab light chain
G: W14 Fab heavy chain
H: W14 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)121,9936
Polymers121,7725
Non-polymers2211
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
K: Spike protein S1
L: IMCAS74 Fab heavy chain
M: IMCAS74 Fab light chain
N: W14 Fab heavy chain
Q: W14 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)121,9936
Polymers121,7725
Non-polymers2211
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
T: Spike protein S1
W: IMCAS74 Fab heavy chain
X: IMCAS74 Fab light chain
Y: W14 Fab heavy chain
Z: W14 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)121,9936
Polymers121,7725
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)196.662, 270.048, 118.156
Angle α, β, γ (deg.)90.000, 107.850, 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

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Components

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Antibody , 4 types, 16 molecules OCLWPEMXDGNYFHQZ

#2: Antibody
IMCAS74 Fab heavy chain


Mass: 25335.576 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody
IMCAS74 Fab light chain


Mass: 22698.014 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody
W14 Fab heavy chain


Mass: 25102.082 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Antibody
W14 Fab light chain


Mass: 23441.945 Da / Num. of mol.: 4
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 / Non-polymers , 3 types, 109 molecules ABKT

#1: Protein
Spike protein S1


Mass: 25194.447 Da / Num. of mol.: 4
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
#6: 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.: 4 / Source method: obtained synthetically / Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
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
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 101 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 3.2 Å3/Da / Density % sol: 61.54 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Ammonium formate, 20% w/v Polyethylene glycol 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.979183 Å
DetectorType: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: Mar 8, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979183 Å / Relative weight: 1
ReflectionResolution: 2.86→112.47 Å / Num. obs: 134730 / % possible obs: 100 % / Redundancy: 7 % / Biso Wilson estimate: 59.11 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.13 / Net I/σ(I): 12.9
Reflection shellResolution: 2.86→3.01 Å / Rmerge(I) obs: 0.822 / Num. unique obs: 19639 / CC1/2: 0.792

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Processing

Software
NameVersionClassification
PHENIXdev_4382refinement
PHENIXdev_4382refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.86→63.06 Å / SU ML: 0.3857 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.4286
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2439 3954 1.49 %
Rwork0.2122 133825 -
obs0.2126 133430 99.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 64.57 Å2
Refinement stepCycle: LAST / Resolution: 2.86→63.06 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms32869 0 56 101 33026
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003433783
X-RAY DIFFRACTIONf_angle_d0.700346032
X-RAY DIFFRACTIONf_chiral_restr0.04665127
X-RAY DIFFRACTIONf_plane_restr0.00585893
X-RAY DIFFRACTIONf_dihedral_angle_d5.58634699
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.86-2.890.38641410.35569387X-RAY DIFFRACTION99.45
2.89-2.930.33821410.34769352X-RAY DIFFRACTION99.51
2.93-2.970.33611410.33019371X-RAY DIFFRACTION99.48
2.97-3.010.33421400.31089369X-RAY DIFFRACTION99.62
3.01-3.050.33631420.30699340X-RAY DIFFRACTION99.58
3.05-3.10.26911420.28799425X-RAY DIFFRACTION99.68
3.1-3.150.32271430.28899345X-RAY DIFFRACTION99.6
3.15-3.20.30961410.27859393X-RAY DIFFRACTION99.69
3.2-3.250.30841390.27439342X-RAY DIFFRACTION99.81
3.25-3.310.35251420.27529394X-RAY DIFFRACTION99.7
3.31-3.380.31291430.2669439X-RAY DIFFRACTION99.73
3.38-3.450.33481410.27229335X-RAY DIFFRACTION99.62
3.45-3.520.24731440.2649377X-RAY DIFFRACTION99.61
3.52-3.60.28631390.24119329X-RAY DIFFRACTION99.51
3.6-3.690.27271440.23039420X-RAY DIFFRACTION99.75
3.69-3.790.29121390.22169362X-RAY DIFFRACTION99.64
3.79-3.90.28221430.21679364X-RAY DIFFRACTION99.56
3.9-4.030.28921400.20839338X-RAY DIFFRACTION99.59
4.03-4.170.23811430.19549469X-RAY DIFFRACTION99.8
4.17-4.340.20191410.17279338X-RAY DIFFRACTION99.71
4.34-4.540.18141410.16019395X-RAY DIFFRACTION99.67
4.54-4.780.17571430.14859366X-RAY DIFFRACTION99.65
4.78-5.080.16821420.15459347X-RAY DIFFRACTION99.68
5.08-5.470.17481410.16579351X-RAY DIFFRACTION99.57
5.47-6.020.22781400.17829413X-RAY DIFFRACTION99.52
6.02-6.890.20291430.1939342X-RAY DIFFRACTION99.35
6.89-8.680.21121370.18069343X-RAY DIFFRACTION99.44
8.68-63.060.1881380.16829192X-RAY DIFFRACTION97.56
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
16.93065625771-2.28973869486-2.133584412885.678161789522.339758989829.941282809820.1517817744590.408505322436-1.16924757898-0.703516003318-0.1719955314740.07815654849960.295071309637-0.260830496471-0.05581586079920.486115164443-0.0704495829232-0.04101387957350.344053349624-0.01271961650130.44684404185986.3321043875-3.05990614945-68.1068241141
25.69523168996-2.73603388836-3.296702588124.548909052312.747486288396.148246548210.1732123189260.662200359953-0.685855168538-0.288854457996-0.0360235983491-0.0659863945315-0.5020512132980.304628696685-0.1245173161450.7508699401390.001268484172910.002546584697980.388361005011-0.0424605212620.50414560313895.8044619717-5.93467640057-67.3260620343
34.8424894365-1.94886984020.7714283489384.66986684475-0.02776530194521.874555026850.3287760259770.690080860310.583105820336-0.666262229422-0.233668760565-0.513908126161-0.3101827435490.311041219513-0.06997611391090.471741559285-0.05791160826780.0561138090680.378356085940.05698653603130.37395511489692.24858466148.23595138552-65.1185051048
46.16115500937-0.092488678346-0.2385891225171.89518925849-0.5154990716641.356586103840.05091651334120.1666794249830.1354691160580.0176871559248-0.04943971388120.07527462714080.185902357557-0.1861503176020.002691175831710.367144991228-0.04648028048320.03937050101820.225725582468-0.02892485683890.22532525745580.51953894256.46780248497-60.1136350692
55.452776991410.280346861615-0.1570184171812.94410841394-0.4913761342452.20363385825-0.0474690406123-1.06901707875-0.1783280835060.8252158954810.1354462106620.1972259855240.110938232228-0.29989679701-0.08085931801330.629337663352-0.03210198984120.01155055879570.4574007372430.01654141680770.35894611477174.92227224433.09314529045-43.4222754804
64.512502630410.5292851796981.49193357550.859068762820.4031234988992.19908870508-0.277341334424-0.0452547234654-0.2490121582890.111010007440.193898451571-0.04729891955840.1834761491890.0668010490313-0.03599051643540.578302138711-0.01651137053840.05920698686270.2969270344360.05958079069540.31124652366187.92826182134.97359261784-65.7349736945
74.961445543343.24639041843-1.203495662425.62924116061-3.008841229465.51729207136-0.291327106885-1.1774733048-0.02135614106821.23788808030.136975190029-0.4242611017890.7436263473440.670267161430.1700576548660.8664683370680.129381445398-0.1676647187260.423570164996-0.06310450400320.42883260358100.513842132-16.6677553496-27.9581737225
84.39722155876-0.612970197639-0.6576494848014.83812632764-1.446331367768.42134439616-0.0473860422353-0.2042891543550.5445301575550.930973912969-0.081903785577-0.318343510537-0.641482993920.003898470338030.08686232115680.5281209926620.0369562525916-0.06969977983380.272303007999-0.07047597750680.38879501553999.2678144356-9.57353676492-39.2409549567
91.661355261990.396547822706-1.404848720634.89753356676-2.671220041265.76462496953-0.106864371564-0.318072972420.7306780173441.094987212290.2005288989560.284377973186-0.445806618222-0.0953222773152-0.2624562306330.8607114885640.0549741970829-0.004343537324920.379984234092-0.07368584412620.50408573036893.6985061584-9.28190473838-31.6956395029
102.250058712251.44485935102-1.723867133175.41578465446-4.93553018226.90656553323-0.219461515385-0.1708717328640.1429283935020.3793185229850.0302911502252-0.3433153694070.05739597635530.01036425139750.1060373483610.547966474450.0961623578647-0.0958471243450.323930260987-0.09987128782510.36209661858599.5022427542-14.3851066216-39.7931920202
112.818790349410.609472217508-0.7167243401446.60911219691-2.274302387172.24175181419-0.04196880746660.146442117888-0.03701039800180.02183851724460.09991373247310.272765508545-0.0446105492327-0.576184281808-0.09610951913070.387620607362-0.04079886544190.0295097026910.617370742505-0.05468975214720.2823716414394.0639525194-48.7522389849-19.9540171448
125.31541851537-0.5580762238421.902373548912.01914038581-2.365256880675.671720504150.3441692120610.556700366752-0.2796940929820.00312088534861-0.2104351706960.347970040498-0.578869093995-0.495243906646-0.2038712489040.443890194652-0.0010544734095-0.003451685963070.511767259387-0.03586689355360.27917317148694.3213986378-42.3810648824-23.4196231047
131.780486294010.201093770115-0.2779030575689.05250908332-1.078370030292.55035423020.0196411420129-0.287377918257-0.04445436927150.491802851895-0.0510481516481-0.613479696001-0.2107510476860.02068615711710.04801006964990.42291856251-0.0177682591109-0.009474765081590.586904946781-0.01101575541710.36453916128698.1900522852-52.1828251523-17.3330770265
144.648732527770.923067286987-1.654595607033.91255844269-0.1330272662244.3180352567-0.213284247699-0.585743929462-0.5790204955931.42773792990.0864639882814-0.1374048407361.04477479975-0.4707404225930.1492351698540.8833949293750.0008034724844710.004192396312010.7177245717510.1364185361390.44864433237995.2050738141-50.2539670144-10.2656117385
152.43148117397-1.80350859751.947875638095.69457804546-3.678090759464.092037627110.08778952401920.0898473066332-0.231860775167-0.7341190415-0.1377227051070.5736420952870.400829170026-0.1905754761230.003951239263870.437298318963-0.0392559058590.04806534396490.326321864691-0.1024849441750.38976432712993.0369908004-31.4432522214-54.8919323204
161.59260227273-2.663627566612.361425243534.37622689729-3.862410309443.364025135690.01184485681970.799234420320.139527219768-0.3494732096470.141299532371-0.174390671662-0.4648156715110.04922776524420.4255443792790.5999472396070.00365501838107-0.0635729159430.550261319305-0.08742366675270.39001761980291.1233499891-14.2151533447-59.8100203387
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1119.21911979459-8.31823635963-8.246628371219.602931841157.875637706618.50062266896-0.965699945542-0.640446870455-1.011292375030.8579336183190.467113875970.827617713048-0.004680965651710.2537712462150.5015994055010.5635726041-0.01379171467910.0001056546652440.5368418882770.1491251974930.49326821891564.60704065626.6813084093-74.7474381916
1123.214805978663.50486095270.4511333361687.72483119447-0.3337859302899.80855210619-0.03179667671820.207841062680.6967359878280.666846503962-0.05073848741951.2751428552-1.20865060002-1.672667132160.1211373968930.7128956046550.1927823103360.09416719615920.6054638094950.07441344371210.63557341674548.068038502727.3712724287-77.187980821
1131.94545655903-1.12393665097-1.609538437042.710221200271.326791240715.72679064830.3473769827660.5600457933180.880655860485-0.336110654880.352762652891-0.362063126155-0.8665723250830.510591519729-0.5901787378020.528165389588-0.172624462350.05242747812620.435714110965-0.04739749797340.66325822507873.000240718522.9667630957-86.9357000671
1143.31721209568-1.33715586306-0.5891625861562.742929304581.095377766316.246044675380.2777232139510.456226951725-0.843168813619-0.5548612295980.0579940588457-0.02629166516221.13982707763-0.340367490405-0.1366254381240.72290779675-0.1877548468010.004606052349920.640349456789-0.09297082193020.71760581529369.6619781099-0.0279148381518-107.329760698
1152.17406958206-0.736229224845-1.435227625194.22920791453.004341581973.67282571541-0.1419216532520.5609266567070.369894672015-0.5240604516790.468145047214-0.118219206766-0.4789384017-0.123080647553-0.3406647388590.439690609624-0.144871515078-0.01112471250350.527703689434-0.07506842126490.65162515150973.394599620113.9672062123-102.678214602
1163.290057061910.4818487904741.750132314232.39460986145-0.5572994115772.0185501469-0.2011665944550.2157561883160.00372926271811-0.392033427590.000997214382105-0.264088231644-0.4142610673230.4122613645020.1981715961970.523022569863-0.1050047924780.07828139347960.5572433414260.03890083899450.55803143695670.462321949915.2203026152-99.9028907477
1173.90644555860.7277884898860.0588094921924.999782288312.781583223827.99311884982-0.001289117588840.907899073803-1.0313842784-1.135665615170.590660270962-0.0906167311985-0.183483529577-0.255459499633-0.4098446113780.560184671169-0.1400909197130.01144730018440.831450455643-0.09291328264050.55812383736668.27322133315.60879537677-114.252893418
1185.845417327893.783527075032.767060083714.841515318583.225552067182.86705553744-0.3287632764421.218176157750.198427667957-0.3916252152540.7517818292880.0589595214692-0.3412413863530.888983576509-0.4867717881190.551980449032-0.2054978135070.1386729153590.74624507588-0.09066908221020.65942486464280.261940929513.6619993864-107.122356959
1196.5290239211.891111669336.800370432022.087544037351.772378828157.09049709370.728751083122-0.0536905090777-0.939743686058-0.4843042227160.726275376536-1.506479651071.185349931281.39093766544-1.435258207750.608034494713-0.02137275684980.1306302338930.897017973324-0.25552604410.94883558048179.83446096341.71830922834-110.532215323
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 333 through 353 )AA333 - 3531 - 21
22chain 'A' and (resid 354 through 364 )AA354 - 36422 - 32
33chain 'A' and (resid 365 through 421 )AA365 - 42133 - 89
44chain 'A' and (resid 422 through 459 )AA422 - 45990 - 127
55chain 'A' and (resid 460 through 494 )AA460 - 494128 - 162
66chain 'A' and (resid 495 through 527 )AA495 - 527163 - 195
77chain 'O' and (resid 1 through 17 )OC1 - 171 - 17
88chain 'O' and (resid 18 through 60 )OC18 - 6018 - 60
99chain 'O' and (resid 61 through 91 )OC61 - 9161 - 91
1010chain 'O' and (resid 92 through 135 )OC92 - 13592 - 135
1111chain 'O' and (resid 136 through 173 )OC136 - 173136 - 173
1212chain 'O' and (resid 174 through 193 )OC174 - 193174 - 193
1313chain 'O' and (resid 194 through 219 )OC194 - 219194 - 219
1414chain 'O' and (resid 220 through 230 )OC220 - 230220 - 230
1515chain 'P' and (resid 1 through 23 )PD1 - 231 - 23
1616chain 'P' and (resid 24 through 35 )PD24 - 3524 - 35
1717chain 'P' and (resid 36 through 63 )PD36 - 6336 - 63
1818chain 'P' and (resid 64 through 94 )PD64 - 9464 - 94
1919chain 'P' and (resid 95 through 110 )PD95 - 11095 - 110
2020chain 'P' and (resid 111 through 125 )PD111 - 125111 - 125
2121chain 'P' and (resid 126 through 141 )PD126 - 141126 - 141
2222chain 'P' and (resid 142 through 154 )PD142 - 154142 - 154
2323chain 'P' and (resid 155 through 177 )PD155 - 177155 - 177
2424chain 'P' and (resid 178 through 191 )PD178 - 191178 - 191
2525chain 'P' and (resid 192 through 213 )PD192 - 213192 - 213
2626chain 'D' and (resid 1 through 124 )DE1 - 1241 - 124
2727chain 'D' and (resid 125 through 149 )DE125 - 149125 - 149
2828chain 'D' and (resid 150 through 229 )DE150 - 229150 - 229
2929chain 'F' and (resid 1 through 90 )FF1 - 901 - 90
3030chain 'F' and (resid 91 through 128 )FF91 - 12891 - 128
3131chain 'F' and (resid 129 through 150 )FF129 - 150129 - 150
3232chain 'F' and (resid 151 through 215 )FF151 - 215151 - 215
3333chain 'B' and (resid 333 through 353 )BG333 - 3531 - 21
3434chain 'B' and (resid 354 through 375 )BG354 - 37522 - 43
3535chain 'B' and (resid 376 through 393 )BG376 - 39344 - 61
3636chain 'B' and (resid 394 through 421 )BG394 - 42162 - 89
3737chain 'B' and (resid 422 through 459 )BG422 - 45990 - 127
3838chain 'B' and (resid 460 through 494 )BG460 - 494128 - 162
3939chain 'B' and (resid 495 through 506 )BG495 - 506163 - 174
4040chain 'B' and (resid 507 through 516 )BG507 - 516175 - 184
4141chain 'B' and (resid 517 through 527 )BG517 - 527185 - 195
4242chain 'C' and (resid 1 through 67 )CI1 - 671 - 67
4343chain 'C' and (resid 68 through 150 )CI68 - 15068 - 150
4444chain 'C' and (resid 151 through 230 )CI151 - 230151 - 230
4545chain 'E' and (resid 1 through 23 )EJ1 - 231 - 23
4646chain 'E' and (resid 24 through 77 )EJ24 - 7724 - 77
4747chain 'E' and (resid 78 through 109 )EJ78 - 10978 - 109
4848chain 'E' and (resid 110 through 154 )EJ110 - 154110 - 154
4949chain 'E' and (resid 155 through 177 )EJ155 - 177155 - 177
5050chain 'E' and (resid 178 through 191 )EJ178 - 191178 - 191
5151chain 'E' and (resid 192 through 213 )EJ192 - 213192 - 213
5252chain 'G' and (resid 1 through 33 )GK1 - 331 - 33
5353chain 'G' and (resid 34 through 92 )GK34 - 9234 - 92
5454chain 'G' and (resid 93 through 124 )GK93 - 12493 - 124
5555chain 'G' and (resid 125 through 149 )GK125 - 149125 - 149
5656chain 'G' and (resid 150 through 229 )GK150 - 229150 - 229
5757chain 'H' and (resid 1 through 38 )HL1 - 381 - 38
5858chain 'H' and (resid 39 through 90 )HL39 - 9039 - 90
5959chain 'H' and (resid 91 through 115 )HL91 - 11591 - 115
6060chain 'H' and (resid 116 through 215 )HL116 - 215116 - 215
6161chain 'K' and (resid 333 through 393 )KM333 - 3931 - 61
6262chain 'K' and (resid 394 through 409 )KM394 - 40962 - 77
6363chain 'K' and (resid 410 through 494 )KM410 - 49478 - 162
6464chain 'K' and (resid 495 through 527 )KM495 - 527163 - 195
6565chain 'L' and (resid 1 through 122 )LO1 - 1221 - 122
6666chain 'L' and (resid 123 through 158 )LO123 - 158123 - 153
6767chain 'L' and (resid 159 through 229 )LO159 - 229154 - 224
6868chain 'M' and (resid 1 through 110 )MP1 - 1101 - 110
6969chain 'M' and (resid 111 through 177 )MP111 - 177111 - 177
7070chain 'M' and (resid 178 through 210 )MP178 - 210178 - 210
7171chain 'N' and (resid 1 through 17 )NQ1 - 171 - 17
7272chain 'N' and (resid 18 through 104 )NQ18 - 10418 - 104
7373chain 'N' and (resid 105 through 124 )NQ105 - 124105 - 124
7474chain 'N' and (resid 125 through 149 )NQ125 - 149125 - 149
7575chain 'N' and (resid 150 through 229 )NQ150 - 229150 - 229
7676chain 'Q' and (resid 1 through 25 )QR1 - 251 - 25
7777chain 'Q' and (resid 26 through 38 )QR26 - 3826 - 38
7878chain 'Q' and (resid 39 through 61 )QR39 - 6139 - 61
7979chain 'Q' and (resid 62 through 90 )QR62 - 9062 - 90
8080chain 'Q' and (resid 91 through 113 )QR91 - 11391 - 113
8181chain 'Q' and (resid 114 through 150 )QR114 - 150114 - 150
8282chain 'Q' and (resid 151 through 163 )QR151 - 163151 - 163
8383chain 'Q' and (resid 164 through 198 )QR164 - 198164 - 198
8484chain 'Q' and (resid 199 through 215 )QR199 - 215199 - 215
8585chain 'T' and (resid 333 through 349 )TS333 - 3491 - 17
8686chain 'T' and (resid 350 through 364 )TS350 - 36418 - 32
8787chain 'T' and (resid 365 through 393 )TS365 - 39333 - 61
8888chain 'T' and (resid 394 through 409 )TS394 - 40962 - 77
8989chain 'T' and (resid 410 through 421 )TS410 - 42178 - 89
9090chain 'T' and (resid 422 through 442 )TS422 - 44290 - 110
9191chain 'T' and (resid 443 through 459 )TS443 - 459111 - 127
9292chain 'T' and (resid 460 through 479 )TS460 - 479128 - 147
9393chain 'T' and (resid 480 through 494 )TS480 - 494148 - 162
9494chain 'T' and (resid 495 through 506 )TS495 - 506163 - 174
9595chain 'T' and (resid 507 through 516 )TS507 - 516175 - 184
9696chain 'T' and (resid 517 through 527 )TS517 - 527185 - 195
9797chain 'W' and (resid 1 through 128 )WU1 - 1281 - 128
9898chain 'W' and (resid 129 through 230 )WU129 - 230129 - 230
9999chain 'X' and (resid 1 through 17 )XV1 - 171 - 17
100100chain 'X' and (resid 18 through 125 )XV18 - 12518 - 125
101101chain 'X' and (resid 126 through 143 )XV126 - 143126 - 143
102102chain 'X' and (resid 144 through 175 )XV144 - 175144 - 175
103103chain 'X' and (resid 176 through 210 )XV176 - 210176 - 210
104104chain 'Y' and (resid 1 through 104 )YW1 - 1041 - 104
105105chain 'Y' and (resid 105 through 139 )YW105 - 139105 - 139
106106chain 'Y' and (resid 140 through 158 )YW140 - 158140 - 158
107107chain 'Y' and (resid 159 through 229 )YW159 - 229159 - 229
108108chain 'Z' and (resid 1 through 25 )ZX1 - 251 - 25
109109chain 'Z' and (resid 26 through 48 )ZX26 - 4826 - 48
110110chain 'Z' and (resid 49 through 69 )ZX49 - 6949 - 69
111111chain 'Z' and (resid 70 through 83 )ZX70 - 8370 - 83
112112chain 'Z' and (resid 84 through 101 )ZX84 - 10184 - 101
113113chain 'Z' and (resid 102 through 113 )ZX102 - 113102 - 113
114114chain 'Z' and (resid 114 through 128 )ZX114 - 128114 - 128
115115chain 'Z' and (resid 129 through 150 )ZX129 - 150129 - 150
116116chain 'Z' and (resid 151 through 174 )ZX151 - 174151 - 174
117117chain 'Z' and (resid 175 through 188 )ZX175 - 188175 - 188
118118chain 'Z' and (resid 189 through 204 )ZX189 - 204189 - 204
119119chain 'Z' and (resid 205 through 215 )ZX205 - 215205 - 215

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