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- PDB-7x7d: SARS-CoV-2 Delta RBD and Nb22 -

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Basic information

Entry
Database: PDB / ID: 7x7d
TitleSARS-CoV-2 Delta RBD and Nb22
Components
  • Nb22
  • Spike protein S1
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / SARS-CoV-2 Delta RBD and Nb22 / 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 / symbiont-mediated suppression of host innate immune response / structural constituent of virion ...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 / symbiont-mediated suppression of host innate immune response / 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 / 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
Vicugna pacos (alpaca)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.92 Å
AuthorsWang, Y. / Ye, S.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)81801998,31971127 China
CitationJournal: Front Immunol / Year: 2022
Title: Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Authors: Wu, X. / Wang, Y. / Cheng, L. / Ni, F. / Zhu, L. / Ma, S. / Huang, B. / Ji, M. / Hu, H. / Li, Y. / Xu, S. / Shi, H. / Zhang, D. / Liu, L. / Nawaz, W. / Hu, Q. / Ye, S. / Liu, Y. / Wu, Z.
History
DepositionMar 9, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Apr 13, 2022Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2023Group: Database references / Refinement description / Category: citation / citation_author / struct_ncs_dom_lim
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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 / _struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_auth_seq_id / _struct_ncs_dom_lim.end_auth_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_auth_seq_id
Revision 1.2Nov 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
D: Spike protein S1
C: Nb22
A: Spike protein S1
B: Nb22
E: Spike protein S1
F: Nb22


Theoretical massNumber of molelcules
Total (without water)107,1096
Polymers107,1096
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)151.824, 108.557, 115.310
Angle α, β, γ (deg.)90.000, 126.235, 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_1chain "A"
d_2ens_1chain "D"
d_3ens_1chain "E"
d_1ens_2chain "B"
d_2ens_2chain "C"
d_3ens_2chain "F"

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_1ens_1ASNASNPROPROAC334 - 5271 - 194
d_2ens_1ASNASNPROPRODA334 - 5271 - 194
d_3ens_1ASNASNPROPROEE334 - 5271 - 194
d_1ens_2GLYGLYSERSERBD1 - 1301 - 130
d_2ens_2GLYGLYSERSERCB1 - 1301 - 130
d_3ens_2GLYGLYSERSERFF1 - 1301 - 130

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.988647682371, 0.0710344978056, -0.132400378641), (-0.0801839123387, -0.495783993895, -0.864736243949), (-0.127068093339, 0.865535863797, -0.484459872576)-1.05083947977, -108.503118906, 1.02576403112
2given(0.989115420376, -0.0750370801578, -0.126570619721), (0.0717986421169, -0.504705654006, 0.8603006206), (-0.128435354032, -0.860024208622, -0.493824584665)-8.51338308782, -55.4258206825, -93.5744775964
3given(0.988616240278, 0.0916213871623, -0.11934592944), (-0.0581700379342, -0.498783393532, -0.864772440023), (-0.138759418225, 0.861870435594, -0.48777574366)0.999570297166, -108.503800923, 0.528197928428
4given(0.988754126338, -0.0634232552419, -0.135435476679), (0.0854644360096, -0.503533578151, 0.859738196111), (-0.122723705234, -0.861644605606, -0.492450470407)-7.87425796153, -55.2133023957, -93.5977183388

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Components

#1: Protein Spike protein S1 / S glycoprotein / E2 / Peplomer protein


Mass: 21844.504 Da / Num. of mol.: 3 / Fragment: Delta RBD
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host: Insecta environmental sample (insect) / References: UniProt: P0DTC2
#2: Antibody Nb22


Mass: 13858.444 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli B (bacteria)

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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: 3.58 Å3/Da / Density % sol: 65.62 %
Crystal growTemperature: 290 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 0.1 M Tris (pH 7.0), 37.5% Jeffamine

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Nov 9, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.9→93 Å / Num. obs: 30832 / % possible obs: 93.8 % / Redundancy: 3.2 % / Biso Wilson estimate: 67.95 Å2 / CC1/2: 0.985 / Net I/σ(I): 6.9
Reflection shellResolution: 2.9→3 Å / Num. unique obs: 3106 / CC1/2: 0.836

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Processing

Software
NameVersionClassification
PHENIX1.20-4459refinement
PHENIX1.20-4459model building
HKL-3000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7CJF

7cjf


Resolution: 2.92→61.23 Å / SU ML: 0.3776 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.7216
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2557 1495 4.85 %
Rwork0.2054 29303 -
obs0.2079 30798 93.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 85.72 Å2
Refinement stepCycle: LAST / Resolution: 2.92→61.23 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7539 0 0 0 7539
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00917728
X-RAY DIFFRACTIONf_angle_d1.099910500
X-RAY DIFFRACTIONf_chiral_restr0.06041110
X-RAY DIFFRACTIONf_plane_restr0.00871389
X-RAY DIFFRACTIONf_dihedral_angle_d13.15762760
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2CX-RAY DIFFRACTIONTorsion NCS0.929676456702
ens_1d_3CX-RAY DIFFRACTIONTorsion NCS0.896361594179
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.50997268951
ens_2d_3DX-RAY DIFFRACTIONTorsion NCS0.625687196475
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.92-3.020.32911280.27392693X-RAY DIFFRACTION95.63
3.02-3.120.26421250.24592709X-RAY DIFFRACTION95.36
3.12-3.250.29841550.24082656X-RAY DIFFRACTION95.48
3.25-3.40.2951450.22512733X-RAY DIFFRACTION96.19
3.4-3.580.26971140.21942725X-RAY DIFFRACTION95.36
3.58-3.80.29921330.20882687X-RAY DIFFRACTION95.11
3.8-4.090.30841200.21372683X-RAY DIFFRACTION94.16
4.09-4.50.21051210.17322669X-RAY DIFFRACTION93
4.5-5.160.21581460.17122610X-RAY DIFFRACTION92.11
5.16-6.490.24311540.20632588X-RAY DIFFRACTION91.74
6.5-61.230.24261540.20392550X-RAY DIFFRACTION88.05
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)
13.412924611252.311930548641.267004942391.81066955211.943491006397.27924080893-0.1313170710370.0418353319979-0.74395156771-0.700164692850.319583746636-0.574872158278-0.03400552727360.265691040563-0.274291999441.061933368640.1346166597470.1705858017870.5102229414740.1978220935551.052280462219.24230222568-56.1989019091-50.8806060611
22.1537191329-9.19987001551-7.512764522246.446464873544.345495548234.95205048687-0.669980344260.0233214986515-1.64946076615-0.999256618533-0.293147854921-0.8347810790180.8977731948920.1430528533920.5686512721610.99730680424-0.06601493803730.4169435478561.11182812682-0.05785097157581.6954964278719.3620659489-58.9135751911-49.7419062719
32.36356306996-7.084549643341.960503087224.55486176578-1.217917801826.881486008320.7358642962881.73727641658-0.543972208346-0.633842997897-0.0175156985996-0.591966171578-0.383304739260.908652515765-0.6486445279310.8469893879130.003538054600170.2661688198211.02828951324-0.02007224501931.2103020091721.8046275576-50.7725164262-60.2671293747
44.312740641481.09948507586-0.6478851823393.94550484630.3304414310075.2857686616-0.0531810845391-0.0386777775884-0.369050546292-0.0483650888131-0.181260885865-0.6758089567180.1456859270180.41954695270.2003000249950.4228415545930.1162437388710.1113854581260.3700582646750.1156951002260.5818386141326.31186230842-41.6474589072-46.4620524739
53.72265846668-0.25454641972-2.271785671850.8803883336180.3723645428933.40844291429-0.111752262099-0.218674564549-0.0865175551511-0.0769186670305-0.0724601263203-0.31980206625-0.206193091090.09560866044210.2123020070780.5932219691630.0207409156136-0.0008045982240510.3605468847370.07020820209810.589579499591-0.52707561923-41.1171932342-47.3107844639
64.565294348741.961582788394.311783963172.238767287860.04709260380246.16841739583-0.7504095108451.089591909030.224653326126-0.0584622840965-0.6279721458890.9087520766890.07636322959920.06089332517750.9910132219610.5306218208650.07910635074020.06579834009671.19999660114-0.104923679011.8789827130630.2372236047-57.3659544739-47.7257475223
78.71135138295-2.40540470124-3.274204214027.99422953917-0.6924680987538.02655710707-0.905002749630.858348085361-2.08694105367-1.470977899370.1280127636620.4658540934772.60723915252-0.340188161040.5948297713870.757547757659-0.0178027158039-0.01046937109420.459497446-0.0772121791520.805086366919-17.902421775-51.4516631931-44.1136086347
84.098541525833.21401074925-3.641374612412.49754633144-1.20543103494.26437016856-0.127942171018-0.314646456356-0.377758492890.0246022291915-0.1649319978840.372258167476-0.287216417085-0.1661264756790.32531755110.2835359725310.114398344811-0.01971857355110.5288631107190.01196883568970.663967824794-24.4695127156-44.443569508-35.3092722301
95.357852640284.05944749317-2.251797313563.32696076775-0.8390618559094.158217142990.2127369778120.6355361823580.375386277928-0.6307073466550.008541706148781.487216929090.0357759492054-1.1438895875-0.135214711430.5394846958690.0367502386815-0.2058386399290.629444052366-0.06058266925390.999430371582-32.4059940097-39.2196077871-41.5882268539
104.691377046432.86852952238-1.029214621038.97006926312-1.417772490186.21748325329-0.003356754746450.6000235827291.198882784540.9433519267110.3155780986710.917389754063-0.929331155092-0.388134705151-0.243083119340.6536782838450.02417480020530.03999907481330.564452918896-0.04956720164220.66701998337-23.492407409-31.2389608559-36.0028981752
116.283860450494.90050828817-2.158165019245.2013204104-1.127284507715.43543685337-0.543818367742-0.1805894424681.060250191580.4076454708870.4996883815560.275183252344-0.21848446324-0.350394751195-0.2924199963860.5349360440910.0413870800834-0.06417302594760.37562996002-0.06790064567410.607934284811-24.3875950687-40.8714955359-31.5524320288
121.907222806843.478279420881.449156113453.08771437189-2.936056687919.275894189650.2999651131250.8235356302461.37764529255-1.186502103110.2902151981480.7310575678040.340343247264-1.32774086778-0.2212655082190.661196668046-0.0349816811748-0.2210913851970.3017630350360.0101985833650.747423312444-23.9470563908-42.8593505551-42.7225023986
139.139027547676.532526153095.877112278376.182509087843.731765419275.19623001063-1.01061300965-1.61588831149-0.232781522385-0.08469907831580.610424345274-0.461240225816-1.02552340569-1.106395062620.4897448426230.6858362151720.241419995193-0.000940208054170.6014719211670.1252113591310.719384193484-12.2034024383-31.1963409309-47.6048671197
145.40895878916-6.65691172018-5.418517636892.017103763858.534989022216.51940451569-0.4297639929751.130467147062.21554008235-3.24397084131-0.03674811804610.208745224464-2.4380850597-0.6721065450380.0696903947291.129427363580.0148942476469-0.2192536110680.6622855520170.183996995791.00598066427-23.1516785991-39.1534578667-48.2610242363
150.903096658290.2867158774421.361748243193.25173583699-0.2465951991922.00930089397-1.346033618040.588905937036-0.283361353260.736562636467-0.1462449162970.6549275122260.196324987558-0.466192578540.8099680233010.2781660230460.0710265603367-0.09666250832061.027487646740.05840226669991.02731530697-34.1905519254-49.1401055624-32.6302994537
164.431777837374.37257226924-1.635742654417.281579168841.508641060896.936688104390.266694271552-1.293896182820.6043412439571.74987887547-0.24091870034-1.15564491735-0.4378637422191.36541046419-0.06437306120550.9757515307470.0182800838674-0.3663569903360.822468377785-0.201638202921.1538075349413.2703026954-68.9857571347-22.208110066
179.89291612473-3.04737314328-0.1250224311256.17779253622-2.447333583486.724979610080.617834952568-2.109668602130.6237641701870.00572066247087-0.00187039169536-1.28188683170.9141398455641.45866100603-0.6296923230260.996847384370.156286267214-0.1109074156131.20275414668-0.1443700104071.5220928940822.617983635-78.4182383112-20.709128966
184.8900754735-2.775629115246.175868905914.18602336363-3.15727755747.641345015190.9267434712750.37549933852-0.03074665192180.0619840046051-1.823164927810.980570366077-0.3951632370191.314984997020.8536935513010.7923780224420.0101918711714-0.01998740415931.608791255160.1493606445771.2707506842832.3200202626-76.5837888632-24.6520682369
194.105633293952.21046612474-1.011417928378.17033204140.03829888634212.62171334770.03686111266140.312587991268-0.7532953919460.411870025630.285699561702-2.05358503657-0.1966788042150.501030383075-0.4354328668220.436358720077-0.0636350377964-0.1732311172240.6310654065330.02974350830581.0190634182912.3755466945-76.3518519531-31.376462527
205.81578504492-1.774740002990.1785277756963.37987733812-0.6672604999534.76466554725-0.140941222923-0.05415811206530.7177528067790.00348622683390.26209611957-0.67195692247-0.3129523296150.393599166132-0.1015430242540.444492862405-0.00883622790881-0.06449592330440.328991145686-0.09337901786660.7148493404517.03699853757-73.0750195803-36.7820314694
216.1734869331-2.255218244051.523806684783.55742273451-2.154501594584.5885961504-0.150711465759-0.1481279607330.416667511795-0.1815924433630.193786906861-0.32861613725-0.03178593317030.0746883645825-0.02555243744940.5761467726030.0316325674525-0.006456723801510.300829007339-0.09626072887750.6044076381971.30523766418-75.1749154088-34.9632019312
222.896601046611.116880894571.611169954870.5418252483910.4503037988731.456704489543.25827359998-2.216775143121.31049304641.15950398481-0.638722090212.477443255860.02840375923170.0592609988852-2.633584051262.35008940607-0.5676111731240.5128403186111.77064717516-0.5706518017612.7825960642631.8588162163-65.0727369042-25.0215938211
238.85241099799-6.69698487193-2.25345503095.821172720880.515550253562.516210428980.0324494588822-0.810349059623-0.190961180970.002095247947330.4046637575410.3464847668310.285905270742-0.152734372659-0.1619129788740.507168695091-0.1976920722820.07628079326170.52296183628-0.07204274086910.591542903503-24.7124228548-62.4868444468-30.8870204305
249.63589305852-7.77419707332-0.2410761881335.526391755231.109383378582.68685518105-0.477770313953-0.508858555421-0.1876942593030.451410870010.3625220372990.3950712834830.244099183996-0.3636440474150.01871162403430.464166735188-0.0438075257128-0.005657922862660.3365851320530.03927660370380.581858859207-20.0824322131-68.6000233269-34.1858430189
256.511251003480.688103113351-4.820920971457.7161753096-1.45059983857.92153507302-0.293370622658-0.221204448985-1.615040013410.516094421229-0.06614311092311.812852844181.52896858492-1.068286984510.9016441767870.554442158137-0.145664688080.03318406560780.760697599667-0.02227942125441.17008270118-31.2382711092-74.047025764-35.4179118728
262.03329666115-2.94238035572-4.385324244878.13133839193-0.2720954341818.38119785228-0.518117927973-0.0446585272135-1.1762098993-1.71513703074-0.502235211543-0.07275144131530.928508724459-0.09492136129740.8478903709260.761027352333-0.04732330881920.02549659522140.3632880404430.0943104795780.628559249684-17.3825682941-73.8681726202-45.6903197207
273.77311029931-4.42811642106-2.651117215257.94704579707-0.8715764354967.375366181250.03699660549911.1224621908-0.534545319186-0.843954371403-0.04770300952610.457815629575-0.0733466413523-0.1418294679880.04336056603830.532343645764-0.0496334501002-0.03037868670810.359483853047-0.02840100319160.480831523807-22.1811790648-65.5884980846-41.512075535
286.67662572187-5.814972411660.5545712038556.34848320659-0.9571242585393.469086546840.5054222164550.548250120818-1.74160269474-0.30380475882-0.1811508539721.594591020260.0409208865886-0.536248156507-0.1959010200860.451960646276-0.06385508673840.07626402820540.512542900978-0.07742309498570.805351868348-29.5169681206-67.9046567546-36.3963248117
291.68051556047-3.732506788142.165559892849.81915046843-2.569425087542.09515393839-0.2671920508220.639140781016-0.582871254054-1.509959458660.6126819414641.44698325441-0.993631552880.145622964235-0.5341562413210.70688789893-0.1987475905750.004084075812550.531989714528-0.1625162973121.02731944893-10.9504693497-81.3293465933-41.7006982665
305.86565176118-2.469734324587.285496062018.90162801474-4.848651148362.066885794410.07078408421630.528795824947-1.787804661790.1173601543130.752738866957-0.5891773196861.484511769640.0108276702679-0.4944047694950.928081854421-0.05163303588060.1695867325460.558763437813-0.1738661684270.817670371411-21.2183941402-78.9030161041-33.214310918
312.24640875208-7.793415130116.285797169676.54783581153-4.694491079892.40648353550.123908904423-0.930043653433-0.8036783246640.3629310724370.2059597597941.26519665074-0.26801912478-0.976518802133-0.2563814334410.4450551991570.01897742588980.05745279197330.6897464186270.03318576637660.906550051441-33.8353439136-61.4064763121-30.969013145
323.58394805936-2.663318972021.060841341282.959810741341.134932364813.97919398125-0.425294115841.188216036970.650278408609-1.330998496170.0707619451776-0.479644213219-1.704737610910.6643235093490.2085582429811.66466411463-0.7040889277410.0456030034081.375668371010.0007571687505730.658509066311.6074618214-37.3384891154-24.3176038553
335.211481857470.665348835745-0.8076647984765.36477827912-0.3273424994572.75059631410.1520017749860.9110682071021.53339598154-0.1961977076870.146377848403-1.50350559094-1.275768120251.28822051917-0.01237009001871.63819933433-0.415421730989-0.01673287713972.169850016720.1302393319261.3985770631321.5275209783-37.8280438931-28.7382665405
345.8650148873-2.892107600151.109000460755.070508521770.948874369934.176104451550.2317284792830.1718177729322.87317208779-0.297936755458-0.515859540727-1.29046980595-1.954955301831.075122809320.1001950347641.42117673223-0.4554669770110.07236437797671.65213292945-0.06118755406011.5054848858920.966468178-31.086848795-13.4566834559
358.35711359341-4.55242091507-2.400167459361.96040770328-3.053509164365.796628874730.13937657480.9277943959170.6568809987381.812524067710.12770991537-2.06398682998-0.737603532287-1.6690966543-0.02811948735191.663481281-0.157836246364-0.05553291933271.475855743840.2370372817521.5015224848231.7087274004-36.9490105634-20.6774016703
366.413123261591.210666678421.868521279645.288061813640.1212229217214.46239793788-0.296784955470.7875887082420.108603075423-0.4058592358590.244188672939-0.518059379389-0.5785178549951.205821567440.05732053647710.618979604127-0.2546755246780.05789137705230.8226914500360.01621754507490.3951218923299.13085817025-48.5579509365-13.2731188909
375.142414467521.320958077831.37812263245.073634809880.3231312766063.90732118643-0.2848262838010.4181021517110.134490899832-0.04809818901990.1220985194140.0465269309473-0.7134478606410.4240304118120.1461711730.507171847732-0.1244783280360.04471494209120.5390437466070.03096792235070.3342676918751.09549399736-47.6963570222-11.0533769726
389.354543447750.884021687890.4833285826985.4675886169-8.424949298562.026508852240.0479751266321.97712622145-0.472167238097-2.28015513456-2.79806883222-1.097968509441.511690304362.237022132232.757505743581.860946749230.04489944561870.2695675628273.33785779365-0.4157211257541.5473453780630.3454334387-42.074052784-27.8765972664
392.03788833492-7.85892390907-4.552093896445.907403879264.067299904529.72481226798-0.7536141427541.22134517572.335374671910.2266564867180.007934976173840.0438402948202-2.01990480777-0.4005706383020.6205081891251.143381816770.0206269643477-0.1133725485530.6085125005080.224857404260.642764844779-15.6471561188-43.7482688971-19.8295248001
405.098659013522.101958484983.276179400251.746022101240.1975214784362.129346748540.1975861755160.8052601259410.4876173290330.5129073692050.1750578132690.5728299104550.119477183923-0.00264933490211-0.3904315094760.582890218688-0.02517922776750.2150680291860.708941221857-0.05330041032440.590374033383-24.2902407888-56.9823046201-21.3697786731
419.574626660374.485245533284.176914212133.135174558311.117561073594.61253272314-0.671146973001-1.200159614261.406702226120.001894763943290.3293613517450.695478130305-0.44350289393-0.7092110249990.3907769792480.4929745249510.1451082703280.006394989546670.466067185985-0.001709505030310.46546004109-19.4780906424-50.8851629165-11.5592470626
429.69966421291-5.883291445325.922744316955.26462689044-4.979574127145.33247204525-0.093046775198-1.646469802252.208591340610.806110151178-0.556781912478-0.0817181778695-0.703059921562-1.246681211210.4447069244950.5923944607550.03471860185840.1135394845570.967400654512-0.158371462380.958796842202-29.6353993708-50.9780683282-8.82972982012
434.541755433170.8715696719316.892826044185.900585394231.736199180172.072687393330.383937929555-0.5749289935680.2429363336180.1191405408160.288431217502-0.6283750991220.823361512276-0.463609531121-0.3934161549550.5088953828790.063839283899-0.01739481382550.54644826504-0.04919773933050.599403144532-14.2178915831-58.8104706059-5.28263513782
445.604569852370.370989216677.240934944975.795966804391.466501510259.495128064360.93952690689-1.91290964591-0.4462846038520.331545211069-0.4848691252710.3012366541351.07978637276-0.779738584455-0.4090068107270.706934514509-0.0273591510540.1405794092080.5802184957030.09136642603930.579251128522-23.1386520096-61.3853847822-10.1369817321
458.400322295861.236527043147.127204732185.24636520021.238223880966.942048983240.439876422863-0.746595181758-0.838892580659-0.166607157162-0.2878921697040.351563612550.105319680602-0.653210829915-0.2935145140660.5036713431970.04381920810290.1039540337020.4264671334450.07203636532010.594467726551-24.565789931-59.2741336343-16.9171839996
462.051296468994.798408668837.285607315053.633515118652.904433294955.76006797399-0.140980885441-1.069885293070.1932168525870.0880104305015-0.3717047162630.566812412391-0.618226591079-0.6895410541460.7385736789230.5817286346460.2104942018650.07460968611910.66683517553-0.0132727506360.492562701528-21.0130319339-48.7893260494-12.4309154398
476.877437897983.190130677044.601733953899.70713529185-3.6513200787.57469314881-0.0279862438836-0.916332795873-0.2295605388610.536287632824-0.7936600542730.632440797195-0.275908116304-0.2699044879470.7145441737130.5041144192740.03823819470250.1154505575170.713993903149-0.09519120500530.476709013875-7.85063332916-51.1523480088-1.69348244708
489.718493709887.32701662971-6.135546502018.02807287096-0.2830596673111.99268689465-0.720859083185-3.20243265686-0.3128862251962.01123626922-0.37243765819-0.32380880424-1.497962217780.7111232767050.9912260012790.9783280430660.2246485663790.1075583685321.1054151211-0.01116781807510.547589619118-19.3485382929-45.8758278208-6.81157197565
496.613627435784.974434471414.27708783948.97801840749.160461121092.14693336258-1.402809741720.2924620762370.263850991783-1.26943077270.8087016387911.36242971101-0.102963777471-0.515041574080.5205760419560.411261929859-0.0544279908070.0623470784680.687879954680.02485639688230.731219422153-33.1330164205-53.8525946326-21.2623358369
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'D' and (resid 334 through 353 )DA334 - 3531 - 20
22chain 'D' and (resid 354 through 365 )DA354 - 36521 - 32
33chain 'D' and (resid 366 through 393 )DA366 - 39333 - 60
44chain 'D' and (resid 394 through 479 )DA394 - 47961 - 146
55chain 'D' and (resid 480 through 516 )DA480 - 516147 - 183
66chain 'D' and (resid 517 through 527 )DA517 - 527184 - 194
77chain 'C' and (resid 1 through 9 )CB1 - 91 - 9
88chain 'C' and (resid 10 through 42 )CB10 - 4210 - 42
99chain 'C' and (resid 43 through 53 )CB43 - 5343 - 53
1010chain 'C' and (resid 54 through 68 )CB54 - 6854 - 68
1111chain 'C' and (resid 69 through 92 )CB69 - 9269 - 92
1212chain 'C' and (resid 93 through 101 )CB93 - 10193 - 101
1313chain 'C' and (resid 102 through 111 )CB102 - 111102 - 111
1414chain 'C' and (resid 112 through 121 )CB112 - 121112 - 121
1515chain 'C' and (resid 122 through 130 )CB122 - 130122 - 130
1616chain 'A' and (resid 334 through 357 )AC334 - 3571 - 24
1717chain 'A' and (resid 358 through 380 )AC358 - 38025 - 47
1818chain 'A' and (resid 381 through 393 )AC381 - 39348 - 60
1919chain 'A' and (resid 394 through 409 )AC394 - 40961 - 76
2020chain 'A' and (resid 410 through 479 )AC410 - 47977 - 146
2121chain 'A' and (resid 480 through 516 )AC480 - 516147 - 183
2222chain 'A' and (resid 517 through 527 )AC517 - 527184 - 194
2323chain 'B' and (resid 1 through 19 )BD1 - 191 - 19
2424chain 'B' and (resid 20 through 42 )BD20 - 4220 - 42
2525chain 'B' and (resid 43 through 53 )BD43 - 5343 - 53
2626chain 'B' and (resid 54 through 61 )BD54 - 6154 - 61
2727chain 'B' and (resid 62 through 84 )BD62 - 8462 - 84
2828chain 'B' and (resid 85 through 101 )BD85 - 10185 - 101
2929chain 'B' and (resid 102 through 111 )BD102 - 111102 - 111
3030chain 'B' and (resid 112 through 121 )BD112 - 121112 - 121
3131chain 'B' and (resid 122 through 130 )BD122 - 130122 - 130
3232chain 'E' and (resid 334 through 353 )EE334 - 3531 - 20
3333chain 'E' and (resid 354 through 365 )EE354 - 36521 - 32
3434chain 'E' and (resid 366 through 380 )EE366 - 38033 - 47
3535chain 'E' and (resid 381 through 395 )EE381 - 39548 - 62
3636chain 'E' and (resid 396 through 479 )EE396 - 47963 - 146
3737chain 'E' and (resid 480 through 514 )EE480 - 514147 - 181
3838chain 'E' and (resid 515 through 527 )EE515 - 527182 - 194
3939chain 'F' and (resid 1 through 9 )FF1 - 91 - 9
4040chain 'F' and (resid 10 through 30 )FF10 - 3010 - 30
4141chain 'F' and (resid 31 through 41 )FF31 - 4131 - 41
4242chain 'F' and (resid 42 through 53 )FF42 - 5342 - 53
4343chain 'F' and (resid 54 through 61 )FF54 - 6154 - 61
4444chain 'F' and (resid 62 through 74 )FF62 - 7462 - 74
4545chain 'F' and (resid 75 through 92 )FF75 - 9275 - 92
4646chain 'F' and (resid 93 through 101 )FF93 - 10193 - 101
4747chain 'F' and (resid 102 through 111 )FF102 - 111102 - 111
4848chain 'F' and (resid 112 through 121 )FF112 - 121112 - 121
4949chain 'F' and (resid 122 through 130 )FF122 - 130122 - 130

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