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- PDB-7zfb: SARS-CoV-2 Omicron RBD in complex with nanobody C1, Omi-18 and Om... -

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Basic information

Entry
Database: PDB / ID: 7zfb
TitleSARS-CoV-2 Omicron RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
Components
  • Nanobody C1
  • Omi-18 heavy chain
  • Omi-18 light chain
  • Omi-31 heavy chain
  • Omi-31 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Omicron / BA.1 / BA.2 / RBD / antibody / Fab / Omi-18 / Omi-31 / VIRAL PROTEIN/IMMUNE SYSTEM
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell ...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 / 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 / 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 speciesLama glama (llama)
Severe acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.08 Å
AuthorsZhou, D. / Huo, J. / Ren, J. / Stuart, D.I.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 United Kingdom
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 United Kingdom
CitationJournal: Cell / Year: 2022
Title: Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Authors: Rungtiwa Nutalai / Daming Zhou / Aekkachai Tuekprakhon / Helen M Ginn / Piyada Supasa / Chang Liu / Jiandong Huo / Alexander J Mentzer / Helen M E Duyvesteyn / Aiste Dijokaite-Guraliuc / ...Authors: Rungtiwa Nutalai / Daming Zhou / Aekkachai Tuekprakhon / Helen M Ginn / Piyada Supasa / Chang Liu / Jiandong Huo / Alexander J Mentzer / Helen M E Duyvesteyn / Aiste Dijokaite-Guraliuc / Donal Skelly / Thomas G Ritter / Ali Amini / Sagida Bibi / Sandra Adele / Sile Ann Johnson / Bede Constantinides / Hermione Webster / Nigel Temperton / Paul Klenerman / Eleanor Barnes / Susanna J Dunachie / Derrick Crook / Andrew J Pollard / Teresa Lambe / Philip Goulder / / Neil G Paterson / Mark A Williams / David R Hall / Juthathip Mongkolsapaya / Elizabeth E Fry / Wanwisa Dejnirattisai / Jingshan Ren / David I Stuart / Gavin R Screaton /
Abstract: Highly transmissible Omicron variants of SARS-CoV-2 currently dominate globally. Here, we compare neutralization of Omicron BA.1, BA.1.1, and BA.2. BA.2 RBD has slightly higher ACE2 affinity than BA. ...Highly transmissible Omicron variants of SARS-CoV-2 currently dominate globally. Here, we compare neutralization of Omicron BA.1, BA.1.1, and BA.2. BA.2 RBD has slightly higher ACE2 affinity than BA.1 and slightly reduced neutralization by vaccine serum, possibly associated with its increased transmissibility. Neutralization differences between sub-lineages for mAbs (including therapeutics) mostly arise from variation in residues bordering the ACE2 binding site; however, more distant mutations S371F (BA.2) and R346K (BA.1.1) markedly reduce neutralization by therapeutic antibody Vir-S309. In-depth structure-and-function analyses of 27 potent RBD-binding mAbs isolated from vaccinated volunteers following breakthrough Omicron-BA.1 infection reveals that they are focused in two main clusters within the RBD, with potent right-shoulder antibodies showing increased prevalence. Selection and somatic maturation have optimized antibody potency in less-mutated epitopes and recovered potency in highly mutated epitopes. All 27 mAbs potently neutralize early pandemic strains, and many show broad reactivity with variants of concern.
History
DepositionApr 1, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 1, 2022Provider: repository / Type: Initial release
Revision 1.1Jun 15, 2022Group: 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.pdbx_database_id_PubMed / _citation.title
Revision 1.2Jun 22, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Jun 29, 2022Group: Derived calculations / Category: pdbx_struct_assembly / pdbx_struct_assembly_gen
Revision 1.4Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
M: Nanobody C1
N: Nanobody C1
E: Spike protein S1
A: Omi-31 heavy chain
B: Omi-31 light chain
H: Omi-18 heavy chain
L: Omi-18 light chain
C: Omi-31 heavy chain
D: Omi-31 light chain
K: Omi-18 light chain
J: Omi-18 heavy chain
F: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)263,66014
Polymers263,21712
Non-polymers4422
Water0
1
M: Nanobody C1
E: Spike protein S1
A: Omi-31 heavy chain
B: Omi-31 light chain
H: Omi-18 heavy chain
L: Omi-18 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,8307
Polymers131,6096
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
N: Nanobody C1
C: Omi-31 heavy chain
D: Omi-31 light chain
K: Omi-18 light chain
J: Omi-18 heavy chain
F: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,8307
Polymers131,6096
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)111.188, 135.092, 112.244
Angle α, β, γ (deg.)90.000, 101.663, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and resid 2 through 228)
d_2ens_1(chain "C" and resid 2 through 228)
d_1ens_2(chain "B" and (resid 2 through 8 or resid 10 through 213))
d_2ens_2(chain "D" and (resid 2 through 8 or resid 10 through 213))
d_1ens_3(chain "E" and (resid 333 or resid 336 through 345...
d_2ens_3(chain "F" and (resid 333 or resid 336 through 345...
d_1ens_4(chain "H" and (resid 2 through 101 or resid 103 through 219))
d_2ens_4(chain "J" and (resid 2 through 101 or resid 103 through 219))
d_1ens_5(chain "K" and (resid 4 through 93 or resid 95 through 110 or resid 112 through 210))
d_2ens_5(chain "L" and (resid 4 through 93 or resid 95 through 110 or resid 112 through 210))
d_1ens_6(chain "M" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 123))
d_2ens_6(chain "N" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 123))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1VALPROE2 - 228
d_21ens_1VALPROI2 - 228
d_11ens_2SERPROF1 - 7
d_12ens_2ALATHRF9 - 212
d_21ens_2SERPROJ2 - 8
d_22ens_2ALATHRJ10 - 213
d_11ens_3THRTHRC1
d_12ens_3CYSTHRC4 - 13
d_13ens_3PHELEUC15 - 186
d_14ens_3ALALYSC188 - 195
d_21ens_3THRTHRM1
d_22ens_3CYSTHRM4 - 13
d_23ens_3PHELEUM15 - 186
d_24ens_3ALALYSM188 - 195
d_11ens_4VALVALG2 - 101
d_12ens_4GLYSERG103 - 215
d_21ens_4VALVALL2 - 101
d_22ens_4GLYSERL103 - 215
d_11ens_5LEUSERK1 - 90
d_12ens_5ASPPROK92 - 107
d_13ens_5ALATHRK109 - 207
d_21ens_5LEUSERH2 - 91
d_22ens_5ASPPROH93 - 108
d_23ens_5ALATHRH110 - 208
d_11ens_6GLNGLYA1 - 10
d_12ens_6VALGLYA12 - 16
d_13ens_6LEUSERA18 - 123
d_21ens_6GLNGLYB1 - 10
d_22ens_6VALGLYB12 - 16
d_23ens_6LEUSERB18 - 123

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4
ens_5
ens_6

NCS oper:
IDCodeMatrixVector
1given(0.989362252517, -0.00710497518369, 0.145299183145), (-0.0236057168667, -0.99340997299, 0.112157905182), (0.14354477847, -0.114394689087, -0.983010046583)41.1858663078, -30.2040844966, 109.194955384
2given(0.990065328712, -0.0114525319188, 0.14014094475), (-0.029316972643, -0.991586261973, 0.126084099637), (0.137517853378, -0.128940003796, -0.982070931971)41.2334056799, -31.6491434166, 108.348848006
3given(0.985234963438, -0.00764819762888, 0.171036755969), (-0.0113004688417, -0.999728229751, 0.0203903418889), (0.170834323902, -0.022022073277, -0.985053634106)39.0538769455, -22.5961525554, 111.830677374
4given(0.983065789383, -0.0107897037193, 0.18293505962), (-0.0449561437492, -0.981959289291, 0.18367062725), (0.177653029481, -0.188784365001, -0.96581564734)37.2974396041, -37.9185437938, 108.480482195
5given(0.995067520597, -0.018642500834, 0.0974324720783), (-0.00518545392357, -0.990614995676, -0.1365834595), (0.0990643251642, 0.135404532805, -0.985825477443)-56.8684448669, -18.5746049929, 108.389235926
6given(0.978160364615, 0.0413798938521, 0.203690955816), (0.031396961304, -0.998153337233, 0.0520014056757), (0.205466619959, -0.0444704368785, -0.977653235215)37.9893375604, -23.8694611639, 111.317648733

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Components

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Antibody , 5 types, 10 molecules MNACBDHJLK

#1: Antibody Nanobody C1


Mass: 14659.114 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#3: Antibody Omi-31 heavy chain


Mass: 24802.873 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody Omi-31 light chain


Mass: 22780.051 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Antibody Omi-18 heavy chain


Mass: 23376.338 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#6: Antibody Omi-18 light chain


Mass: 22833.049 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 4 molecules EF

#2: Protein Spike protein S1 / SARS-CoV-2 Omicron Spike protein


Mass: 23157.164 Da / Num. of mol.: 2
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
#7: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Details

Has ligand of interestN

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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: 3.14 Å3/Da / Density % sol: 60.78 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Ammonium sulfate, 0.1 M MES pH 6.5, 20 % w/v PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Mar 4, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.08→87 Å / Num. obs: 60199 / % possible obs: 100 % / Redundancy: 14.1 % / Biso Wilson estimate: 110.19 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.264 / Rpim(I) all: 0.073 / Net I/σ(I): 5.4
Reflection shellResolution: 3.08→3.13 Å / Mean I/σ(I) obs: 0.2 / Num. unique obs: 2994 / CC1/2: 0.286

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Processing

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

7qnw


Resolution: 3.08→70.56 Å / SU ML: 0.667 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 42.3168
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3078 2718 5.08 %
Rwork0.2605 50808 -
obs0.2629 53526 88.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 176.96 Å2
Refinement stepCycle: LAST / Resolution: 3.08→70.56 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17886 0 28 0 17914
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004318388
X-RAY DIFFRACTIONf_angle_d0.679225095
X-RAY DIFFRACTIONf_chiral_restr0.04662817
X-RAY DIFFRACTIONf_plane_restr0.00563234
X-RAY DIFFRACTIONf_dihedral_angle_d11.83386501
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2CX-RAY DIFFRACTIONTorsion NCS0.454023083923
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.629717147132
ens_3d_2FX-RAY DIFFRACTIONTorsion NCS0.382073151381
ens_4d_2JX-RAY DIFFRACTIONTorsion NCS1.79906369486
ens_5d_2LX-RAY DIFFRACTIONTorsion NCS1.78073507061
ens_6d_2NX-RAY DIFFRACTIONTorsion NCS0.288777081828
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.08-3.140.4748200.4781291X-RAY DIFFRACTION9.87
3.14-3.20.4826290.4377586X-RAY DIFFRACTION19.71
3.2-3.260.47381380.47322121X-RAY DIFFRACTION71.69
3.26-3.330.50621780.48332834X-RAY DIFFRACTION96.05
3.33-3.410.49441630.48932963X-RAY DIFFRACTION99.08
3.41-3.50.46261440.46483011X-RAY DIFFRACTION99.12
3.5-3.590.47791450.40082966X-RAY DIFFRACTION99.3
3.59-3.70.37821420.36422980X-RAY DIFFRACTION98.99
3.7-3.820.37741710.33512992X-RAY DIFFRACTION99.75
3.82-3.950.39031730.30092969X-RAY DIFFRACTION99.56
3.95-4.110.32681710.28432956X-RAY DIFFRACTION99.52
4.11-4.30.33431500.26233024X-RAY DIFFRACTION99.72
4.3-4.520.24821550.21132975X-RAY DIFFRACTION99.65
4.52-4.810.2391520.2113020X-RAY DIFFRACTION99.84
4.81-5.180.2491230.20733042X-RAY DIFFRACTION99.75
5.18-5.70.28511640.22193006X-RAY DIFFRACTION99.94
5.7-6.520.2831530.23443028X-RAY DIFFRACTION99.66
6.52-8.220.26591790.23923007X-RAY DIFFRACTION99.81
8.22-70.560.25321680.18873037X-RAY DIFFRACTION98.34
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)
18.45886879207-5.61397698895-1.632921327637.46015841869-0.4468323843344.955602289470.005899912106261.07205758511-0.180964766958-2.310557782740.444954970961-2.12563659735-0.405866380245-0.947240256452-0.2525273070160.957237563340.250663558110.3908961240641.44797382283-0.1199297346532.50684582693-19.4049521724-1.743552380557.12544026396
22.14465802628-0.594690490760.3557704220594.7061141921-1.830679329917.698233774070.122869458240.356224537110.91859972127-0.6880636708920.5475776478231.79548379498-0.142126297927-1.47989715058-0.8846910574331.036197635150.09909105838940.3134325324521.164434282280.1386362401192.70500045554-18.3139871993-0.30199859784212.8815409226
36.537301504560.08162864905323.657175225356.67452421541.683759729783.34629499023-1.100913106722.91003197511.91124683944-1.67566969757-0.7454612891131.32588533421-0.703482602295-1.750219547090.871125287770.8616018689420.451495185179-0.04570274114822.304325010270.9498695012092.63638273243-27.03489870777.673749127444.19356896379
46.906108003964.380076243471.71251340359.88956153320.3066646824210.516305404701-0.6456131870821.684639327420.271957815978-1.7258695663-0.204814854357-1.1695334080.573727860186-0.1555967587490.1065973110571.389326607810.479319936947-0.1298127325292.20299801299-0.01668283706560.797716924885-21.8790692694-2.86273103423-0.298488423945
52.54720784339-2.362291263850.3290882633282.37929249409-1.137683274191.963919396280.226358565623-0.600925958502-0.4461934626630.399396274317-0.2695094780141.35354992747-0.007993640425970.7561028117520.163236397441.12726933069-0.1445493522910.7892903035621.18309498325-0.004654240105092.5116268987-2.7902543700517.322304845537.0655753589
63.59143182510.643983512325-1.677118672876.844010609620.6433252054443.409012347770.243132328646-0.294415006527-0.291622791170.2178076960180.2858322184350.432556038976-0.4145599715490.103513973076-0.3731479671110.78934520716-0.04943230606170.2561198551290.7418893275850.05200122484621.517853410216.4813626795114.61110072931.6965734578
75.360554515430.3013855169512.627537417791.20051612138-1.31136233876.527441428680.2640573962610.135409376477-0.03695890254320.3592188972930.09727592249010.448810994663-1.14668634475-0.554785958129-1.056265397881.10193983270.04842919318110.6005979237860.6927462761520.03700855885822.48725918131-18.073942441815.340424631624.558845979
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566.716955091981.24268995085-0.9293134536120.972126986041.657766240234.52747098142-0.2582190838420.7555695367970.6647576402180.5397160162470.1878288904162.34579511146-0.53920639324-1.36118143496-0.07596838083831.206236389920.4012689601140.3833534391341.85756662360.7554854261552.96218267445-83.3703356049-20.717216696380.6271439976
573.97410131465-1.55232451540.5875548827522.504753020521.442728380264.24756663615-0.264754795469-0.752478463053-0.3648354102420.9860940192580.3337391515130.1441456274930.1740793642990.498454173833-0.301143376621.05501709653-0.2219857810280.3090685671171.03949894939-0.1977750549411.5649616993-1.422105282-12.228555117297.2479173732
583.7415619285-1.33418198919-0.6859333330644.382422055961.108524437812.549182341120.407637458610.398671057020.04024972487720.7905106597560.242333127783-0.352675940357-0.2578309293660.654208907941-0.2378230365421.08417619163-0.1379997887020.4109626472531.04637538016-0.2422853715531.91154767896-2.58804120929-9.3912220848791.6079900199
594.155341881741.36415857447-1.578443369810.8054379676110.5631881960193.361746672180.2288431873631.746294623940.3441891931650.392188103233-0.306416940736-0.2522382990030.0734730641958-1.13864723282-0.406776787661.37768489568-0.1829892854480.05003590156591.956274471290.2665874211191.306266128217.854302956522.4606439713103.547026895
605.792512591041.65502131457-1.554408088573.665246411520.7623324626257.488876573720.0915155677542-0.602055264335-1.26310214449-1.35344706554-0.650940661822-0.9947816795360.168084723789-0.4324690895260.4441059943521.4294941168-0.3465368795330.1616615710020.7823124196020.008554305491851.733303698744.763081882222.6470622199108.863772937
610.930882048008-0.572419992631-0.3767840825810.4266405715720.2098836166810.153918271222-1.11968655983-1.43471121619-0.592901764604-0.577086412997-0.0457575991656-0.6477114143440.2839568482380.01139276927190.6339140403291.83289126004-0.1357043551380.2083663859071.85722003494-0.1890191641421.80373490209-0.93592303877728.2476133891117.853040001
627.309795134980.386944193620.1894004116610.867768740753-1.652604653683.44635499226-0.832633855767-0.909635931812-0.8463454511750.1480672048661.40837038024-0.729305461342-0.1676800934990.6078829989030.448763304371.45027937249-0.2498654013090.2780001069471.23759879029-0.6132663855310.9359962423222.5849535824526.7534635195109.218023569
636.637332725631.12921559942-2.024658724491.277453586521.425303228753.61134085340.246757312218-1.45382118181-0.736354343394-0.834777045650.414112525944-1.470852343260.1416202817371.040164290380.2865766936871.93464407829-0.316987811186-0.02068862332591.14285412946-0.1632745932752.4467659103711.396144316327.8765904814111.146034276
642.19166483031-0.463799051071-2.213165987550.1039159341610.5608686331266.37234856552-0.4925126217290.03382800150241.4229211727-0.281624761409-0.07712574247580.792576663443-0.0268763163711-0.9807874467690.6227509358541.46263328648-0.298449285180.9212737174931.00763530201-0.07831685321282.41833335502-23.58706790528.7256483475395.0927252164
658.37770260676-2.81459313875-0.9381716453295.754816745123.951887318282.79600890040.09714250407520.2004222396630.251180298233-0.05548147719330.02265255560790.902054298133-0.558422287498-0.537194323036-0.3194598049621.19701104191-0.207276585040.6096215611141.108104641670.1776754117431.90195174313-23.3490434157-1.7600568137694.1878847565
662.353768336730.5431528371540.5762108915144.46016497288-0.6564566015430.2472048003320.862001677927-0.246104478930.53284276279-0.727443768004-0.4423146341570.149221618152-0.985806484959-0.6821760167760.1022660289111.41548316103-0.1713599295280.6935251597321.16940562190.06358151235391.70666649281-17.13512992385.1348147157693.8401394251
674.65604198893-1.235251569382.009706730521.5073548970.004467920878441.89521061895-1.578815107951.35604363228-1.10652438657-0.2649083541770.67030350450.1896876851970.336865290602-0.2543853384820.9272669591271.79632228951-0.4520464208350.3925870736691.02181550989-0.1334591270691.31322498637-3.143501024624.517564519297.0571143665
680.160233530124-0.5167915294280.2395372056562.59769036211-2.106122291892.69887598687-1.209128306853.10959391467-0.567402349801-0.5493657391481.554007054220.490770237481-1.06368363449-0.797729801801-0.5273500030061.62857782908-0.5129724375320.2659733277832.28597372672-0.07141021925062.27602608238-9.1632439052130.175034602692.5936372422
692.468737824593.76601319969-1.353894965576.13671571764-2.648268650426.279410680030.495948246720.930528465455-1.085192179740.9229720137040.6812574336881.61766655526-0.486100354147-0.273026629353-0.3619142844220.9661611370380.03449966311950.4419866211310.71513477455-0.1639807541052.216438391515.62341674674-5.4030394304415.545993537
705.64858431274-0.6894238946620.9375516955622.382590470280.6719554843220.9914605152420.8211153079320.6462016531240.02022115194510.935602681623-0.2535044792192.22469954003-0.986266014371-0.8228351549930.123740041615-0.150247101385-0.9583064476381.20843148068-0.1790855051730.2544647447652.7801780473510.42469729171.6582930109723.6066194003
712.953768505992.132932208263.023789703725.967622311541.743823786774.668727531590.52444723541-0.120392343896-1.46410032381.17802123980.444821103957-0.732891558913-0.00841895695010.542340939731-0.08056699912141.08055891830.09949630850760.5640014454340.738989389240.5513366275982.4800322770814.5019940062-5.6015623442930.0920132722
722.96373189615-1.409977038912.046015501320.804800091859-1.112923694622.72380868031-0.5640712251641.9913859361-1.92845269814-1.898483919980.182017919341-0.3469931744650.9751317801831.685697451340.8673144854331.09884776316-0.052093388810.9928362468721.2849345628-0.8415554967251.994829030218.2835744067-6.5802353629617.9907116527
736.48645771516-1.27308569356-0.03336174571081.483294452851.95345898622.966598800960.172258698307-1.1016319656-1.835668819171.797933384660.6413416358360.1344310351310.596660249949-0.1617129580980.07134384291011.18447610071-0.1955177415750.5576478553890.5232158557940.01695991261543.08279360384.19450051578-10.224005383323.4298912303
740.810959193903-0.235414797211-0.3507338502323.159008299260.3404493438571.770631451370.0398373041113-0.0366281236829-1.04364367882-0.1430097612550.28496084562-0.000883455949594-0.2581545222840.275927346242-0.3185928294810.716926751193-0.006328391915770.3745212979080.804757644435-0.1316627873781.793314648769.045058905291.885921749524.6196496506
757.330969080695.00075391488-0.9463175333943.58338160619-1.851221883798.436602558710.726433427708-1.620203321670.1589119188841.22127372006-0.5255024220781.12745883712-2.01713501105-0.214991091522-1.028113759411.49078356440.1833609686850.06963993631451.76207629097-0.03819265963771.67435803817-32.60132248793.054792081827.20538479804
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'C' and (resid 150 through 172 )CI150 - 172150 - 172
22chain 'C' and (resid 173 through 192 )CI173 - 192173 - 192
33chain 'C' and (resid 193 through 203 )CI193 - 203193 - 203
44chain 'C' and (resid 204 through 228 )CI204 - 228204 - 228
55chain 'D' and (resid 1 through 23 )DJ1 - 231 - 23
66chain 'D' and (resid 24 through 101 )DJ24 - 10124 - 101
77chain 'D' and (resid 102 through 122 )DJ102 - 122102 - 122
88chain 'D' and (resid 123 through 165 )DJ123 - 165123 - 165
99chain 'D' and (resid 166 through 213 )DJ166 - 213166 - 213
1010chain 'K' and (resid 4 through 17 )KK4 - 171 - 14
1111chain 'K' and (resid 18 through 31 )KK18 - 3115 - 28
1212chain 'K' and (resid 32 through 89 )KK32 - 8929 - 86
1313chain 'K' and (resid 90 through 119 )KK90 - 11987 - 116
1414chain 'K' and (resid 120 through 130 )KK120 - 130117 - 127
1515chain 'K' and (resid 131 through 151 )KK131 - 151128 - 148
1616chain 'K' and (resid 152 through 172 )KK152 - 172149 - 169
1717chain 'K' and (resid 173 through 210 )KK173 - 210170 - 207
1818chain 'J' and (resid 1 through 110 )JL1 - 1101 - 110
1919chain 'J' and (resid 111 through 219 )JL111 - 219111 - 215
2020chain 'F' and (resid 333 through 353 )FM333 - 3531 - 21
2121chain 'F' and (resid 354 through 375 )FM354 - 37522 - 43
2222chain 'F' and (resid 376 through 516 )FM376 - 51644 - 184
2323chain 'F' and (resid 517 through 527 )FM517 - 527185 - 195
2424chain 'M' and (resid 1 through 7 )MA1 - 71 - 7
2525chain 'M' and (resid 8 through 17 )MA8 - 178 - 17
2626chain 'M' and (resid 18 through 24 )MA18 - 2418 - 24
2727chain 'M' and (resid 25 through 39 )MA25 - 3925 - 39
2828chain 'M' and (resid 40 through 52 )MA40 - 5240 - 52
2929chain 'M' and (resid 53 through 60 )MA53 - 6053 - 60
3030chain 'M' and (resid 61 through 73 )MA61 - 7361 - 73
3131chain 'M' and (resid 74 through 91 )MA74 - 9174 - 91
3232chain 'M' and (resid 92 through 99 )MA92 - 9992 - 99
3333chain 'M' and (resid 100 through 107 )MA100 - 107100 - 107
3434chain 'M' and (resid 108 through 123 )MA108 - 123108 - 123
3535chain 'N' and (resid 1 through 17 )NB1 - 171 - 17
3636chain 'N' and (resid 18 through 24 )NB18 - 2418 - 24
3737chain 'N' and (resid 25 through 39 )NB25 - 3925 - 39
3838chain 'N' and (resid 40 through 52 )NB40 - 5240 - 52
3939chain 'N' and (resid 53 through 60 )NB53 - 6053 - 60
4040chain 'N' and (resid 61 through 73 )NB61 - 7361 - 73
4141chain 'N' and (resid 74 through 91 )NB74 - 9174 - 91
4242chain 'N' and (resid 92 through 107 )NB92 - 10792 - 107
4343chain 'N' and (resid 108 through 124 )NB108 - 124108 - 124
4444chain 'E' and (resid 333 through 353 )EC333 - 3531 - 21
4545chain 'E' and (resid 354 through 375 )EC354 - 37522 - 43
4646chain 'E' and (resid 376 through 516 )EC376 - 51644 - 184
4747chain 'E' and (resid 517 through 527 )EC517 - 527185 - 195
4848chain 'A' and (resid 1 through 23 )AE1 - 231 - 23
4949chain 'A' and (resid 24 through 67 )AE24 - 6724 - 67
5050chain 'A' and (resid 68 through 134 )AE68 - 13468 - 134
5151chain 'A' and (resid 135 through 149 )AE135 - 149135 - 149
5252chain 'A' and (resid 150 through 228 )AE150 - 228150 - 228
5353chain 'B' and (resid 2 through 62 )BF2 - 621 - 61
5454chain 'B' and (resid 63 through 101 )BF63 - 10162 - 100
5555chain 'B' and (resid 102 through 122 )BF102 - 122101 - 121
5656chain 'B' and (resid 123 through 213 )BF123 - 213122 - 212
5757chain 'H' and (resid 1 through 39 )HG1 - 391 - 39
5858chain 'H' and (resid 40 through 113 )HG40 - 11340 - 113
5959chain 'H' and (resid 114 through 138 )HG114 - 138114 - 134
6060chain 'H' and (resid 139 through 158 )HG139 - 158135 - 154
6161chain 'H' and (resid 159 through 169 )HG159 - 169155 - 165
6262chain 'H' and (resid 170 through 204 )HG170 - 204166 - 200
6363chain 'H' and (resid 205 through 219 )HG205 - 219201 - 215
6464chain 'L' and (resid 3 through 17 )LH3 - 171 - 15
6565chain 'L' and (resid 18 through 89 )LH18 - 8916 - 87
6666chain 'L' and (resid 90 through 114 )LH90 - 11488 - 112
6767chain 'L' and (resid 115 through 188 )LH115 - 188113 - 186
6868chain 'L' and (resid 189 through 210 )LH189 - 210187 - 208
6969chain 'C' and (resid 1 through 23 )CI1 - 231 - 23
7070chain 'C' and (resid 24 through 52 )CI24 - 5224 - 52
7171chain 'C' and (resid 53 through 67 )CI53 - 6753 - 67
7272chain 'C' and (resid 68 through 77 )CI68 - 7768 - 77
7373chain 'C' and (resid 78 through 91 )CI78 - 9178 - 91
7474chain 'C' and (resid 92 through 134 )CI92 - 13492 - 134
7575chain 'C' and (resid 135 through 149 )CI135 - 149135 - 149

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