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- PDB-7x7o: SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K -

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Basic information

Entry
Database: PDB / ID: 7x7o
TitleSARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K
Components
  • Spike protein S1
  • UT28K Fab, heavy chain
  • UT28K Fab, light chain
KeywordsVIRAL PROTEIN / SARS-CoV-2 / spike / 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 / 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
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.75 Å
AuthorsOzawa, T. / Tani, H. / Anraku, Y. / Kita, S. / Igarashi, E. / Saga, Y. / Inasaki, N. / Kawasuji, H. / Yamada, H. / Sasaki, S. ...Ozawa, T. / Tani, H. / Anraku, Y. / Kita, S. / Igarashi, E. / Saga, Y. / Inasaki, N. / Kawasuji, H. / Yamada, H. / Sasaki, S. / Somekawa, M. / Sasaki, J. / Hayakawa, Y. / Yamamoto, Y. / Morinaga, Y. / Kurosawa, N. / Isobe, M. / Fukuhara, H. / Maenaka, K. / Hashiguchi, T. / Kishi, H. / Kitajima, I. / Saito, S. / Niimi, H.
Funding support Japan, 1items
OrganizationGrant numberCountry
Japan Agency for Medical Research and Development (AMED)JP21am0101077 Japan
CitationJournal: MAbs / Year: 2022
Title: Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants.
Authors: Tatsuhiko Ozawa / Hideki Tani / Yuki Anraku / Shunsuke Kita / Emiko Igarashi / Yumiko Saga / Noriko Inasaki / Hitoshi Kawasuji / Hiroshi Yamada / So-Ichiro Sasaki / Mayu Somekawa / Jiei ...Authors: Tatsuhiko Ozawa / Hideki Tani / Yuki Anraku / Shunsuke Kita / Emiko Igarashi / Yumiko Saga / Noriko Inasaki / Hitoshi Kawasuji / Hiroshi Yamada / So-Ichiro Sasaki / Mayu Somekawa / Jiei Sasaki / Yoshihiro Hayakawa / Yoshihiro Yamamoto / Yoshitomo Morinaga / Nobuyuki Kurosawa / Masaharu Isobe / Hideo Fukuhara / Katsumi Maenaka / Takao Hashiguchi / Hiroyuki Kishi / Isao Kitajima / Shigeru Saito / Hideki Niimi /
Abstract: Many potent neutralizing SARS-CoV-2 antibodies have been developed and used for therapies. However, the effectiveness of many antibodies has been reduced against recently emerging SARS-CoV-2 ...Many potent neutralizing SARS-CoV-2 antibodies have been developed and used for therapies. However, the effectiveness of many antibodies has been reduced against recently emerging SARS-CoV-2 variants, especially the Omicron variant. We identified a highly potent SARS-CoV-2 neutralizing antibody, UT28K, in COVID-19 convalescent individuals who recovered from a severe condition. UT28K showed efficacy in neutralizing SARS-CoV-2 in an assay and prophylactic treatment, and the reactivity to the Omicron strain was reduced. The structural analyses revealed that antibody UT28K Fab and SARS-CoV-2 RBD protein interactions were mainly chain-dominated antigen-antibody interactions. In addition, a mutation analysis suggested that the emergence of a UT28K neutralization-resistant SARS-CoV-2 variant was unlikely, as this variant would likely lose its competitive advantage over circulating SARS-CoV-2. Our data suggest that UT28K offers potent protection against SARS-CoV-2, including newly emerging variants.
History
DepositionMar 10, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0May 25, 2022Provider: repository / Type: Initial release
Revision 1.1Nov 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

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Assembly

Deposited unit
A: Spike protein S1
B: Spike protein S1
C: Spike protein S1
D: Spike protein S1
E: UT28K Fab, heavy chain
F: UT28K Fab, light chain
G: UT28K Fab, heavy chain
H: UT28K Fab, heavy chain
I: UT28K Fab, light chain
J: UT28K Fab, heavy chain
K: UT28K Fab, light chain
L: UT28K Fab, light chain


Theoretical massNumber of molelcules
Total (without water)310,25212
Polymers310,25212
Non-polymers00
Water0
1
A: Spike protein S1
G: UT28K Fab, heavy chain
I: UT28K Fab, light chain


Theoretical massNumber of molelcules
Total (without water)77,5633
Polymers77,5633
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3000 Å2
ΔGint-18 kcal/mol
Surface area18630 Å2
MethodPISA
2
B: Spike protein S1
H: UT28K Fab, heavy chain
L: UT28K Fab, light chain


Theoretical massNumber of molelcules
Total (without water)77,5633
Polymers77,5633
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2980 Å2
ΔGint-15 kcal/mol
Surface area18250 Å2
MethodPISA
3
C: Spike protein S1
E: UT28K Fab, heavy chain
F: UT28K Fab, light chain


Theoretical massNumber of molelcules
Total (without water)77,5633
Polymers77,5633
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2890 Å2
ΔGint-18 kcal/mol
Surface area17960 Å2
MethodPISA
4
D: Spike protein S1
J: UT28K Fab, heavy chain
K: UT28K Fab, light chain


Theoretical massNumber of molelcules
Total (without water)77,5633
Polymers77,5633
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2850 Å2
ΔGint-19 kcal/mol
Surface area18120 Å2
MethodPISA
Unit cell
Length a, b, c (Å)138.249, 138.412, 221.107
Angle α, β, γ (deg.)90.000, 90.050, 90.000
Int Tables number5
Space group name H-MI121
Space group name HallC2y(x,y,-x+z)
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z+1/2
#4: -x+1/2,y+1/2,-z+1/2

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Components

#1: Protein
Spike protein S1


Mass: 24145.156 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
#2: Antibody
UT28K Fab, heavy chain


Mass: 27689.121 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
UT28K Fab, light chain


Mass: 25728.674 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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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.41 Å3/Da / Density % sol: 63.92 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.1 M Citric acid pH5.0, 1.0 M Lithium chloride, 10% (w/v) PEG 6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SPring-8 / Beamline: BL32XU / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Oct 7, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.75→48.91 Å / Num. obs: 42875 / % possible obs: 99.9 % / Redundancy: 3.6 % / Biso Wilson estimate: 66.7 Å2 / CC1/2: 0.921 / Net I/σ(I): 7.1
Reflection shellResolution: 3.75→3.89 Å / Num. unique obs: 16957 / CC1/2: 0.469

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Processing

Software
NameVersionClassification
REFMAC5.8.0267refinement
Coot0.9.5model building
PHENIX1.18_3845refinement
XDSVERSION Feb 5, 202data reduction
Aimless0.7.7data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7jmp

7jmp


Resolution: 3.75→48.14 Å / SU ML: 0.7589 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 36.7428
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3358 2189 5.11 %
Rwork0.3033 40637 -
obs0.305 42826 99.88 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 133.89 Å2
Refinement stepCycle: LAST / Resolution: 3.75→48.14 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12279 0 0 0 12279
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005312576
X-RAY DIFFRACTIONf_angle_d0.836417052
X-RAY DIFFRACTIONf_chiral_restr0.05981811
X-RAY DIFFRACTIONf_plane_restr0.00422207
X-RAY DIFFRACTIONf_dihedral_angle_d16.69784466
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.75-3.830.44641230.37112581X-RAY DIFFRACTION99.93
3.83-3.920.37331420.3582482X-RAY DIFFRACTION99.96
3.92-4.020.46221600.34362557X-RAY DIFFRACTION100
4.02-4.130.35831570.3092472X-RAY DIFFRACTION99.85
4.13-4.250.27861030.31862561X-RAY DIFFRACTION100
4.25-4.390.28141470.29132482X-RAY DIFFRACTION99.89
4.39-4.540.34261290.27762588X-RAY DIFFRACTION100
4.54-4.720.25771250.27682510X-RAY DIFFRACTION100
4.72-4.940.27991430.28362553X-RAY DIFFRACTION100
4.94-5.20.33041200.2832512X-RAY DIFFRACTION100
5.2-5.520.30911060.28422583X-RAY DIFFRACTION99.93
5.52-5.950.32251480.30582552X-RAY DIFFRACTION99.96
5.95-6.550.37021740.29052494X-RAY DIFFRACTION100
6.55-7.490.39221560.31842539X-RAY DIFFRACTION99.96
7.49-9.430.34011360.29422567X-RAY DIFFRACTION100
9.43-48.140.32951200.31412604X-RAY DIFFRACTION98.59
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)
17.746514748044.542023474233.134991846262.665287135761.72863482215.46382406929-2.4331080108-0.669521799134-0.9531128731510.5146471602842.483987312970.4801348363531.47415270006-1.44936480594-0.286373014161.795639042510.513017139453-0.7665222720151.151423008310.02848435843782.490962949398.0878749758-55.296119953346.5391874812
26.290016398153.612945028161.65824781312.944933430961.106214132314.88803281781-0.8857644928860.5871001418320.982960048255-1.58705133966-0.3506433659111.062772134750.224738594106-0.2103196910030.4443798616131.510928246760.3994154444040.1806477287420.7320770661710.1135064584471.7259531193123.2380478353-51.138918140849.8769095429
39.206869084435.07889343938-1.576958424589.51072170145-1.486204232894.49272057762.228286640480.2889581099271.422258034050.267271834873-0.4241417130982.010205072921.38732488427-2.17455838873-1.581818272171.41372840369-0.222415644487-0.3511546498311.558738720650.536851206371.934925628397.04117112846-53.004928752552.9091201567
42.01601046951-5.53717679083-1.768069395635.43370114995-3.528069743067.78160896705-0.206907363563-1.88190633217-0.104008176468-0.496255472163-0.23949100880.01016792903192.45594342481-1.912633482850.6205589539950.7383742143-0.4733279232070.3548131147151.70638276669-0.5581966637642.1771457427312.2661650288-66.228003605656.9717854371
53.68707889607-2.744737413390.8198909791663.26535143751.086968918922.91053978788-1.12039886884-0.0920686074195-2.29439218282.032866190940.1562297649891.243129043010.631385865320.4047853453260.9253158312731.283442930130.1166899849750.08991038292421.0049242761-0.1226376156581.4549149250122.9622208502-58.585075137759.3150215662
62.473179019971.60560753467-3.69663274973.40523819572-0.4794091285888.66269742871.41950200743-0.500409357280.3585763725362.4810778030.002584334605120.8651077504770.970106678139-0.121024736384-1.395347592831.75214565074-0.385527617046-0.1107594788781.49783633937-0.1345421811681.3189721349422.6792487777-57.656142168160.9807535213
74.83918551126-3.02818093365-5.918638325744.448471855161.635559884819.30741826641-0.8923446140020.5160654578390.142419784496-0.08799440536530.723451577595-0.9402137169041.876406916781.049990912090.4201711357621.5965577857-0.477250419635-0.4202029166681.5690495781-0.3150699384441.4734830536933.2068800676-56.357433484543.5823691353
83.251764293084.34264858563-2.186560951445.74963101166-2.499866179077.661808879381.05732251961-1.393365136681.04222230763-0.594815098616-0.7398140751031.30818640409-0.3242245772550.375730731535-0.2851785569880.9418333267270.219700077196-0.06985677188991.11729341763-0.1255818328920.86169871446428.4585230273-47.686269577363.8289889422
96.35892341157.167661308444.97260670168.519442861474.851342348995.5244674757-0.08201780374690.98499842892-0.854160683909-0.3027309170332.08220419403-1.01688519726-0.7281576837940.799482574343-2.001448921341.370145069860.3573585737240.2909868357921.17395404459-0.2686988509281.2305600362141.9500343018-41.532182084663.9294886133
102.772049239182.33768446798-3.865743177892.52998442483-2.872397482595.60843278445-1.72842190257-2.47755333205-0.45747786963.052048294640.837630652026-2.81122655377-1.244401609280.7729761845191.070668593281.324424011950.379294547788-0.4604895920771.47717325806-0.1498712066241.7769267902935.7695699391-62.028906194248.2772152626
114.21232995035-1.053450609422.261581813642.776263821941.922818081793.743420755211.06516971282-0.327399042282-1.451423185761.21515910383-0.6421961455310.2594948965780.0708984662891.44584099151-0.1822706808711.54184900723-0.524796165894-0.06036816976451.241907845070.03605673744641.1559592977817.4354950535-58.137256718454.5125213233
122.000188183213.744069694262.000134148064.20982767952.000167940271.999903959481.683529921850.3089049665250.23521783323-5.86226880067-2.43552780476-0.336691306933-3.45510824496-1.290984337510.557361544371.65429101082-0.2863563750820.9743878572481.44535177032-1.007316695733.075589321792.38534552593-54.632765750564.3175941968
134.605489377753.83324411209-1.474665271943.07964302395-1.231353609281.637876308370.6147596341230.923841881139-1.6218976637-0.00772909851732-0.237479308978-0.682045711352-0.223151641430.332773955241-0.4844617505841.22663068930.1163399235070.1620112835420.786044894343-0.06454196865421.4627189481352.5356282676-19.966712727948.2265556896
144.263800871010.1084694545264.714926381960.2872875432060.2354981448865.2871044746-0.154704984551.77360394273-1.172747520890.682156648312-0.179700505064-1.682173817640.1822881746772.139178232941.776612331031.00832290019-0.7076407966580.9790285068021.183917170320.006521318429732.6952462119761.8913166332-21.409630727553.3366321518
152.45409235568-3.07047568324-4.23521246674.363185463164.475993075358.746238785990.414269768503-0.401049426207-1.45864585162-1.083674305292.25989897415-1.3313919926-1.525355208141.36037400562-2.000651898891.31373864329-0.001484113671950.6497825118171.444575373240.01014954156353.1323052162555.1114119295-8.434171925756.5645309793
164.73652709365-4.987991585410.5791317196785.42763650406-0.52040987482.21065556476-2.633345884290.7290676984922.23563852191.159811630231.25518022822-1.319999803160.164260110863-0.1395567557461.555867967660.9175623383420.114761138899-0.06246838565111.443049899060.03344038412361.7894465705246.652377699-15.350064211156.9872717377
172.697492333171.84881403576-0.4057272636457.69063846707-2.548181671342.54905967050.915310003193-0.3314709841840.4994817344912.261133129310.201214348076-0.73467425627-0.5716048815740.770028460215-1.288785747732.11172755887-0.3310788311110.2181764204091.33542935011-0.03851397878591.279698472546.9976424218-14.463097313162.4313685719
188.40905275364.887052310190.8429163612264.57434023215-0.5290497640488.30727483963-0.06505036090152.569177747991.52022591990.434976309831.6250752942.49277932702-0.752731302367-2.40030723391-1.793011064961.278184292950.1146896228290.1979233119631.587563243850.2979156402751.2655707782435.906752346-16.463004578743.6495313002
193.45405491842-2.558232080882.670163759629.811619883033.283206492116.029475376390.592116226846-1.261748582010.0108449961456-0.782508842175-0.799127185835-1.14806292385-0.234880584355-0.6253678218530.1871850004340.822822117621-0.0669842185668-0.01944065209821.126760251380.1155043489550.94577565853540.5669250445-25.164979398163.9965043323
203.25887153165.14388854787-1.959352471698.51933389464-3.714394083343.71529094431-0.452781232077-0.662077203741-0.186109980635-0.1076762525591.3588279561-0.8637366079451.04929313734-0.461467241059-0.8423073479851.207566449040.526171309718-0.1129403317311.177217657870.1872458320381.1821808076727.1167502601-31.527738756463.9385261094
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701.99410611045-7.03007562260.3976192429799.09287107035-0.1556152121720.02351367390961.08878092286-2.2010240346-1.207552660952.655850758611.60448711923-1.35964813684-0.5179106942780.552306824948-0.4188650813381.940829199650.54013517635-0.313332262340.62164238965-0.2859332059351.4902592174263.8203213902-48.158890043179.858051814
715.00201264877-0.08431389586390.230918276334.61417718744-3.241695567247.20667334932-0.428524677154-1.346682641141.40628725084-0.6934941693730.181506494077-1.220911134530.6335388793750.7164014311530.1370758624431.18719324737-0.08099900257310.01179455285491.33260714255-0.5674926664541.1353978210160.0921355971-34.972300749280.1737600911
727.054621988773.812884035692.574412095975.01209513475-1.588947314.644339147911.46072096564-2.275974227661.2435658027-0.670664427141-0.8911151373610.840628123522-1.32780031512-1.64313162919-1.051238988491.129149314580.154158828116-0.02227861335350.83297188441-0.4634309763731.4186459398669.9529924425-40.548808868189.2921706211
736.43332584422-2.149855889795.652887314094.268989239370.2893163709156.08713824084-0.1146639554782.385232667710.500572655049-0.3379136144130.525916611368-1.09011539195-0.4989614263463.50264302413-0.4792458598570.9573434107060.304781070604-0.07119131600571.76727140444-0.4610321929351.13174355966.0764177583-41.455467624470.9802947719
747.275177175235.458358586683.8375477384.853443424493.150889516222.149565850091.84203069485-0.6221778872070.8065133669691.53485774634-0.6585427591281.811592241352.16680573627-1.83346031011-0.5627825811071.62246002629-0.62572244258-0.3317504274161.244766700860.3865064027021.080668826199.6177824849210.864718514914.4097891994
753.12300899767-0.958071390227-2.407483888875.28013407541-1.00241999482.406976880640.6154681955131.32438636068-1.705512328891.180181265550.2503504109390.1555156083363.19432013511-0.1326529148420.1052695782262.20477152388-0.663369828132-0.9871459815150.7577958710530.5035611764911.8918570772718.82426634281.4288947041112.2978679846
764.778724707862.796423788731.873140032994.879552638591.227233590940.7533046057340.3513348176560.717498242255-0.634050697009-1.830014910672.11919760043-0.4460993042991.3763323841-0.507087874545-1.083892763361.75424587352-0.246599368305-0.6565685318251.257252951650.2659597732480.85355332377518.222585979511.23931080974.28866958678
777.55593395124-3.903850032883.548667411993.63465609988-1.059345312843.29394748772-0.4431169198940.829293321050.692967182386-0.9469987657420.52642871270.0904537903550.199633174896-0.0638127646904-0.1028762838991.30299443315-0.354542446823-0.3402836912650.86258618130.3878962639861.1209757842513.95592222887.8994652548712.7927307394
782.00397283109-1.64084178881-5.065109666753.23488786824-3.450540074818.608151838371.09762317810.579671283531-3.655812521410.6173169093130.598665031462-1.426014668785.19629238989-1.01130113091-2.124400502722.75577913967-0.537746559007-0.614015625951.12549553666-0.01720428882761.8251809972234.6033497048-0.8241174959129.6919385007
797.07646269515.52917455525-4.336671854018.74310243743-5.420142782264.60643480847-0.2242234119570.419015297872-2.60809635592-1.464704250920.552300655168-0.7191656268634.228577082450.620586653777-0.5604372335781.620586589660.298395653623-0.7430947970610.980573619021-0.3081670983111.5170626383436.8948281765-5.9937765801925.231873138
802.1822106165-3.91321226453-0.2203388349977.800231161242.38808100865.165048783730.462725005809-0.975589568403-0.2183382763030.6578021317611.539199154490.190009067520.8817889284280.891687267436-1.23723858591.42129151687-0.199700757192-0.6672319057790.676833477397-0.1332965416961.448959190633.52045937257.2002507459315.3662351519
810.658634067456-0.9239120322660.07399109713558.47940084622-4.631558514242.87574038998-0.683807443545-1.23422601155-1.248402516551.117850688821.467398973562.45742177481-1.19699695402-0.371660910386-0.4777035219961.03943836294-0.4346253359370.03893152845291.610660842340.2250995439521.5028149650522.98215739833.243382260324.8208598542
822.799331866444.10315486805-4.204767639738.29668799593-6.164341080627.08718797438-1.08182820548-0.820978081360.1720703812260.8832053495010.20199979156-1.700380745690.934658029575-1.998191125760.76118398921.247580367360.0973029139938-0.465618487741.133406769770.06709967200430.98641152776132.518446679910.35744314328.3260566047
831.657430409532.860726179720.6153820587599.49528463118-4.080744845838.33959045495-0.129267354426-0.0701067988787-1.46538990773-0.9191873760211.71937806279-0.8402886394041.79606706149-0.364787486705-0.9336152951741.523045199150.165847216069-0.7903910735451.2725669503-0.2207311511321.7473640789339.48421932224.1859880640321.7633829805
841.994491919451.865678664621.246004362924.156427034753.640144266893.22791480975-0.0616525220141-2.360465797382.182377048662.838962714690.0699454032514-1.96086930174-0.5184664085234.15937899672-0.1110547950071.05177628352-0.369580007218-0.4324330933921.14851501067-0.02716471355961.3748606565330.3900223665-2.7555224656433.9274472307
859.040160504824.87307702313-0.2745353646288.461010047293.197893812221.9335072926-1.784161739821.07091474162-0.778302963504-0.9752930140170.087959875709-2.0647819055-0.8976718667820.612186722454-0.4493606866292.40877373995-0.616482709056-0.630068514420.6731570712110.02972566835181.3516311198629.30757152991.4714695291917.6549955353
863.38364329501-6.221313694954.963140217372.01944637919-9.083849123967.279220735960.84729929161-0.2037026783770.238720282143-3.09331228023-1.51512422668-0.2829999806622.27209368110.438180030145-0.03902677658362.40134538267-0.696930454104-0.4128037680641.299734700840.1163464858281.1571152195929.59511299631.0236785992814.9726590787
871.787143185691.59612868473-3.047953204957.295152944191.361564075068.10503815182-0.2825240425550.038451852003-1.26229459853-0.0567319861803-0.003777385602190.34601052419-0.416447914888-0.6156741667840.3152121175070.807609043925-0.0494559398493-0.07058230491181.648322588130.4500474728511.27889677054-0.642404057368-38.858727142573.5835365802
888.327809742084.7133567524-3.537928453782.73151153872-1.964728550378.504531679450.9342310641870.5063912978340.4821176674650.711962200786-0.165767490598-0.313691756733-0.536652891141-0.149165628115-0.7921490061151.056495400780.3264716839360.133230592780.9994827351420.2839056789590.9132143358787.02839766864-29.117293927276.7964698784
899.87689469312-1.11598056398-6.194336638225.108665279025.539681377868.41412332423-0.569479168264-1.06617917282-0.793222887840.08328441145890.3342342383260.7818949584060.5207486132910.1956554930640.3843298352830.9580166462810.130195850610.002151751290910.9778027851770.4431106973091.06203739086.25837652271-36.415455947382.756218163
906.4524360733-1.89423240125-3.057361415463.329111815490.2851213920546.09674242178-1.423782125552.29128348142-0.2603769376550.2434088017180.631009369678-0.002351541494551.75436914307-2.58358333232-0.1027311922611.290251043720.2306699000710.03409300223721.685996316010.5270761916081.036902995022.90728418576-31.516384202771.1037128691
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 334 through 342 )AA334 - 3421 - 9
22chain 'A' and (resid 343 through 353 )AA343 - 35310 - 20
33chain 'A' and (resid 354 through 364 )AA354 - 36421 - 30
44chain 'A' and (resid 372 through 393 )AA372 - 39331 - 46
55chain 'A' and (resid 394 through 416 )AA394 - 41647 - 69
66chain 'A' and (resid 417 through 437 )AA417 - 43770 - 87
77chain 'A' and (resid 438 through 451 )AA438 - 45188 - 101
88chain 'A' and (resid 452 through 469 )AA452 - 469102 - 119
99chain 'A' and (resid 470 through 494 )AA470 - 494120 - 144
1010chain 'A' and (resid 495 through 506 )AA495 - 506145 - 156
1111chain 'A' and (resid 507 through 516 )AA507 - 516157 - 166
1212chain 'A' and (resid 517 through 524 )AA517167
1313chain 'B' and (resid 334 through 353 )BB334 - 3531 - 20
1414chain 'B' and (resid 354 through 363 )BB354 - 36321 - 30
1515chain 'B' and (resid 373 through 393 )BB373 - 39331 - 41
1616chain 'B' and (resid 394 through 409 )BB394 - 40942 - 57
1717chain 'B' and (resid 410 through 437 )BB410 - 43758 - 85
1818chain 'B' and (resid 438 through 451 )BB438 - 45186 - 99
1919chain 'B' and (resid 452 through 469 )BB452 - 469100 - 117
2020chain 'B' and (resid 470 through 494 )BB470 - 494118 - 142
2121chain 'B' and (resid 495 through 506 )BB495 - 506143 - 154
2222chain 'B' and (resid 507 through 516 )BB507 - 516155 - 164
2323chain 'B' and (resid 517 through 525 )BB517 - 525165 - 172
2424chain 'C' and (resid 335 through 344 )CC335 - 3441 - 10
2525chain 'C' and (resid 345 through 358 )CC345 - 35811 - 24
2626chain 'C' and (resid 359 through 394 )CC359 - 39425 - 37
2727chain 'C' and (resid 395 through 409 )CC395 - 40938 - 52
2828chain 'C' and (resid 410 through 437 )CC410 - 43753 - 80
2929chain 'C' and (resid 438 through 451 )CC438 - 45181 - 94
3030chain 'C' and (resid 452 through 494 )CC452 - 49495 - 137
3131chain 'C' and (resid 495 through 514 )CC495 - 514138 - 157
3232chain 'D' and (resid 333 through 342 )DD333 - 3421 - 10
3333chain 'D' and (resid 343 through 353 )DD343 - 35311 - 21
3434chain 'D' and (resid 354 through 364 )DD354 - 36422 - 31
3535chain 'D' and (resid 365 through 394 )DD365 - 39432 - 45
3636chain 'D' and (resid 395 through 416 )DD395 - 41646 - 67
3737chain 'D' and (resid 417 through 437 )DD417 - 43768 - 85
3838chain 'D' and (resid 438 through 451 )DD438 - 45186 - 99
3939chain 'D' and (resid 452 through 479 )DD452 - 479100 - 127
4040chain 'D' and (resid 480 through 494 )DD480 - 494128 - 142
4141chain 'D' and (resid 495 through 515 )DD495 - 515143 - 163
4242chain 'E' and (resid 2 through 32 )EE2 - 321 - 31
4343chain 'E' and (resid 33 through 60 )EE33 - 6032 - 59
4444chain 'E' and (resid 61 through 73 )EE61 - 7360 - 72
4545chain 'E' and (resid 74 through 91 )EE74 - 9173 - 90
4646chain 'E' and (resid 92 through 108 )EE92 - 10891 - 107
4747chain 'E' and (resid 109 through 123 )EE109 - 123108 - 122
4848chain 'F' and (resid 1 through 30 )FF1 - 301 - 30
4949chain 'F' and (resid 31 through 39 )FF31 - 3931 - 39
5050chain 'F' and (resid 40 through 49 )FF40 - 4940 - 49
5151chain 'F' and (resid 50 through 70 )FF50 - 7050 - 70
5252chain 'F' and (resid 71 through 85 )FF71 - 8571 - 85
5353chain 'F' and (resid 86 through 107 )FF86 - 10786 - 107
5454chain 'G' and (resid 2 through 12 )GG2 - 121 - 11
5555chain 'G' and (resid 13 through 32 )GG13 - 3212 - 31
5656chain 'G' and (resid 33 through 52 )GG33 - 5232 - 51
5757chain 'G' and (resid 53 through 64 )GG53 - 6452 - 63
5858chain 'G' and (resid 65 through 73 )GG65 - 7364 - 72
5959chain 'G' and (resid 74 through 83 )GG74 - 8373 - 82
6060chain 'G' and (resid 84 through 91 )GG84 - 9183 - 90
6161chain 'G' and (resid 92 through 113 )GG92 - 11391 - 112
6262chain 'G' and (resid 114 through 123 )GG114 - 123113 - 122
6363chain 'H' and (resid 2 through 32 )HH2 - 321 - 31
6464chain 'H' and (resid 33 through 73 )HH33 - 7332 - 72
6565chain 'H' and (resid 74 through 98 )HH74 - 9873 - 97
6666chain 'H' and (resid 99 through 108 )HH99 - 10898 - 107
6767chain 'H' and (resid 109 through 123 )HH109 - 123108 - 122
6868chain 'I' and (resid 1 through 18 )II1 - 181 - 18
6969chain 'I' and (resid 19 through 39 )II19 - 3919 - 39
7070chain 'I' and (resid 40 through 49 )II40 - 4940 - 49
7171chain 'I' and (resid 50 through 76 )II50 - 7650 - 76
7272chain 'I' and (resid 77 through 85 )II77 - 8577 - 85
7373chain 'I' and (resid 86 through 107 )II86 - 10786 - 107
7474chain 'J' and (resid 2 through 32 )JJ2 - 321 - 31
7575chain 'J' and (resid 33 through 44 )JJ33 - 4432 - 43
7676chain 'J' and (resid 45 through 73 )JJ45 - 7344 - 72
7777chain 'J' and (resid 74 through 123 )JJ74 - 12373 - 122
7878chain 'K' and (resid 1 through 7 )KK1 - 71 - 7
7979chain 'K' and (resid 8 through 25 )KK8 - 258 - 25
8080chain 'K' and (resid 26 through 39 )KK26 - 3926 - 39
8181chain 'K' and (resid 40 through 49 )KK40 - 4940 - 49
8282chain 'K' and (resid 50 through 62 )KK50 - 6250 - 62
8383chain 'K' and (resid 63 through 76 )KK63 - 7663 - 76
8484chain 'K' and (resid 77 through 85 )KK77 - 8577 - 85
8585chain 'K' and (resid 86 through 91 )KK86 - 9186 - 91
8686chain 'K' and (resid 92 through 107 )KK92 - 10792 - 107
8787chain 'L' and (resid 1 through 30 )LL1 - 301 - 30
8888chain 'L' and (resid 31 through 49 )LL31 - 4931 - 49
8989chain 'L' and (resid 50 through 85 )LL50 - 8550 - 85
9090chain 'L' and (resid 86 through 107 )LL86 - 10786 - 107

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