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- PDB-7zfe: SARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1 -

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Basic information

Entry
Database: PDB / ID: 7zfe
TitleSARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1
Components
  • Nanobody C1
  • Omi-32 heavy chain
  • Omi-32 light chain
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Omicron / BA.1 / BA.2 / RBD / antibody / Fab / Omi-32 / VIRALPROTEIN/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: 3.25 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

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Assembly

Deposited unit
Z: Nanobody C1
C: Spike protein S1
M: Omi-32 heavy chain
N: Omi-32 light chain
K: Omi-32 light chain
X: Nanobody C1
W: Nanobody C1
E: Spike protein S1
J: Omi-32 heavy chain
H: Omi-32 heavy chain
L: Omi-32 light chain
F: Omi-32 heavy chain
G: Omi-32 light chain
B: Spike protein S1
A: Spike protein S1
Y: Nanobody C1


Theoretical massNumber of molelcules
Total (without water)340,01616
Polymers340,01616
Non-polymers00
Water0
1
Z: Nanobody C1
E: Spike protein S1
H: Omi-32 heavy chain
L: Omi-32 light chain


Theoretical massNumber of molelcules
Total (without water)85,0044
Polymers85,0044
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Spike protein S1
M: Omi-32 heavy chain
N: Omi-32 light chain
Y: Nanobody C1


Theoretical massNumber of molelcules
Total (without water)85,0044
Polymers85,0044
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
K: Omi-32 light chain
W: Nanobody C1
J: Omi-32 heavy chain
A: Spike protein S1


Theoretical massNumber of molelcules
Total (without water)85,0044
Polymers85,0044
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
X: Nanobody C1
F: Omi-32 heavy chain
G: Omi-32 light chain
B: Spike protein S1


Theoretical massNumber of molelcules
Total (without water)85,0044
Polymers85,0044
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)98.489, 159.908, 133.271
Angle α, β, γ (deg.)90.000, 106.765, 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 336 through 345 or resid 347...
d_2ens_1(chain "B" and (resid 336 through 345 or resid 347...
d_3ens_1(chain "C" and (resid 336 through 345 or resid 347...
d_4ens_1(chain "E" and (resid 336 through 345 or resid 347...
d_1ens_2(chain "F" and (resid 1 through 107 or (resid 108...
d_2ens_2(chain "H" and (resid 1 through 212 or resid 214 through 217))
d_3ens_2(chain "J" and (resid 1 through 107 or (resid 108...
d_4ens_2(chain "M" and (resid 1 through 107 or (resid 108...
d_1ens_3chain "G"
d_2ens_3chain "K"
d_3ens_3chain "L"
d_4ens_3chain "N"
d_1ens_4(chain "W" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 124))
d_2ens_4(chain "X" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 124))
d_3ens_4(chain "Y" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 124))
d_4ens_4(chain "Z" and (resid 1 through 10 or resid 12 through 16 or resid 18 through 124))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDEnd auth comp-IDAuth asym-IDAuth seq-ID
d_11ens_1CYSTHRA1 - 10
d_12ens_1PHEILEA12 - 23
d_13ens_1TYRPHEA34 - 42
d_14ens_1CYSGLYA44 - 81
d_15ens_1ILEGLUA83 - 181
d_21ens_1CYSTHRB - N2 - 11
d_22ens_1PHEILEB - N13 - 24
d_23ens_1TYRPHEB - N35 - 43
d_24ens_1CYSGLYB - N45 - 82
d_25ens_1ILEGLUB - N84 - 182
d_31ens_1CYSTHRC1 - 10
d_32ens_1PHEILEC12 - 23
d_33ens_1TYRPHEC34 - 42
d_34ens_1CYSGLYC44 - 81
d_35ens_1ILEGLUC83 - 181
d_41ens_1CYSTHRE2 - 11
d_42ens_1PHEPHEE13 - 33
d_43ens_1CYSGLYE35 - 72
d_44ens_1ILEGLUE74 - 172
d_11ens_2GLULYSF1 - 212
d_12ens_2VALLYSF214 - 217
d_21ens_2GLULYSH1 - 212
d_22ens_2VALLYSH214 - 217
d_31ens_2GLULYSJ1 - 212
d_32ens_2VALLYSJ214 - 217
d_41ens_2GLULYSM1 - 212
d_42ens_2VALLYSM214 - 217
d_11ens_3ALACYSG1 - 216
d_21ens_3ALACYSK1 - 216
d_31ens_3ALACYSL1 - 216
d_41ens_3ALACYSN1 - 216
d_11ens_4GLNGLYW1 - 10
d_12ens_4VALGLYW12 - 16
d_13ens_4LEUSERW18 - 124
d_21ens_4GLNGLYX1 - 10
d_22ens_4VALGLYX12 - 16
d_23ens_4LEUSERX18 - 124
d_31ens_4GLNGLYY1 - 10
d_32ens_4VALGLYY12 - 16
d_33ens_4LEUSERY18 - 124
d_41ens_4GLNGLYZ1 - 10
d_42ens_4VALGLYZ12 - 16
d_43ens_4LEUSERZ18 - 124

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4

NCS oper:
IDCodeMatrixVector
1given(-0.876131242639, 0.0194208728767, -0.481681300622), (0.0536051157303, 0.996916395408, -0.0573078714848), (0.479083017065, -0.0760297985219, -0.874470658454)-9.13498448396, 14.6010033074, -40.520027617
2given(0.817294377968, -0.00177313315746, 0.5762176288), (-0.0135908669705, -0.999776391382, 0.016200480566), (0.576060055963, -0.021071858826, -0.817135722319)12.4196002206, 45.5444031536, -34.6798879691
3given(-0.457027406252, -0.0273893627669, -0.889030805283), (-0.0654819879231, -0.995777283069, 0.064340592022), (-0.887038927665, 0.0876209183434, 0.453303998963)-40.9703072509, 30.4475334986, 63.9611625157
4given(0.816757666164, 0.00885471323242, 0.576912912679), (0.0179541150479, -0.999788068345, -0.0100731398768), (0.576701451806, 0.0185852750235, -0.816743547901)-11.0157414166, 44.0273986113, 34.4800704975
5given(-0.897508300714, 0.065696616297, 0.43607660423), (0.0442899424397, 0.997269809277, -0.0590874648557), (-0.438767878437, -0.0337176824755, -0.897967631232)11.2313527498, -18.4795098323, -41.7673026892
6given(-0.98961337675, 0.0232819576907, -0.141856670632), (-0.0298870027216, -0.998557322399, 0.0446098750542), (-0.140613411967, 0.04838619979, 0.988881511631)-1.97963062974, 62.9202855303, 5.3578896472
7given(-0.890181974003, 0.0355360730039, 0.454217173471), (0.0308489521879, 0.999366828483, -0.017728064658), (-0.454559561894, -0.00176907972521, -0.890714586749)12.3174059225, -18.5296761096, -43.0321656888
8given(0.816047845613, 0.010435941278, 0.577890132118), (0.016062440439, -0.999860289971, -0.00462585618718), (0.577761119908, 0.0130572458031, -0.816101462231)-11.0784352064, 44.0536689065, 34.7619380054
9given(-0.992772637567, 0.0165606174937, -0.11886225661), (-0.01801778855, -0.999774989065, 0.0111951121084), (-0.118650113333, 0.0132558359819, 0.992847638572)-1.74054152376, 62.7357951982, 6.10610308423
10given(-0.864196725791, 0.0116707539108, -0.503018700086), (0.0505198583892, 0.99669149549, -0.0636695117558), (0.500611389244, -0.0804354170875, -0.86192713186)-10.3163748768, 14.1452506345, -39.5088340403
11given(0.81966541193, -0.00177565898758, 0.572839820126), (-0.0130130839801, -0.999794857159, 0.0155210580773), (0.572694746031, -0.0201764871489, -0.819520370238)12.3961533039, 45.6716961796, -34.7360405158
12given(-0.428542178083, -0.0274890444331, -0.903103512362), (-0.0697603053763, -0.995546696039, 0.0634056448552), (-0.900824678502, 0.0901727699578, 0.42471610537)-41.5949125066, 30.596076085, 61.9535406784

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Components

#1: Antibody
Nanobody C1


Mass: 14659.114 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#2: Protein
Spike protein S1 / SARS-CoV-2 Omicron Spike protein


Mass: 23157.164 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
#3: Antibody
Omi-32 heavy chain


Mass: 23711.529 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody
Omi-32 light chain


Mass: 23476.111 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: 2.96 Å3/Da / Density % sol: 58.38 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.15 M Lithium sulfate monohydrate, 0.1 M Citric acid pH 3.5, 18% w/v Polyethylene glycol 6,000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9762 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Feb 28, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 3.25→128 Å / Num. obs: 28305 / % possible obs: 87.8 % / Redundancy: 7.1 % / Biso Wilson estimate: 70.52 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.241 / Rpim(I) all: 0.097 / Net I/σ(I): 6.6
Reflection shellResolution: 3.254→3.758 Å / Mean I/σ(I) obs: 1.6 / Num. unique obs: 1416 / CC1/2: 0.474

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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: 3.25→127.61 Å / SU ML: 0.5185 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 34.9018
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.293 1395 4.93 %
Rwork0.2366 26894 -
obs0.2395 28289 45.63 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 98.73 Å2
Refinement stepCycle: LAST / Resolution: 3.25→127.61 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22807 0 0 0 22807
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002323433
X-RAY DIFFRACTIONf_angle_d0.554731892
X-RAY DIFFRACTIONf_chiral_restr0.04183455
X-RAY DIFFRACTIONf_plane_restr0.0064139
X-RAY DIFFRACTIONf_dihedral_angle_d12.50568350
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS0.52145090378
ens_1d_3CX-RAY DIFFRACTIONTorsion NCS0.446824863348
ens_1d_4EX-RAY DIFFRACTIONTorsion NCS0.570702106277
ens_2d_2HX-RAY DIFFRACTIONTorsion NCS0.351064816078
ens_2d_3LX-RAY DIFFRACTIONTorsion NCS0.666504896505
ens_2d_4LX-RAY DIFFRACTIONTorsion NCS0.570183909918
ens_3d_2MX-RAY DIFFRACTIONTorsion NCS0.740445392855
ens_3d_3MX-RAY DIFFRACTIONTorsion NCS0.344293714891
ens_3d_4MX-RAY DIFFRACTIONTorsion NCS0.573231617797
ens_4d_2GX-RAY DIFFRACTIONTorsion NCS0.313198220678
ens_4d_3GX-RAY DIFFRACTIONTorsion NCS0.312234914284
ens_4d_4GX-RAY DIFFRACTIONTorsion NCS0.312565889387
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.25-3.370.413530.383581X-RAY DIFFRACTION1.37
3.37-3.510.452180.3371309X-RAY DIFFRACTION5.36
3.51-3.650.2707200.3263548X-RAY DIFFRACTION9.93
3.69-3.860.3941690.31471178X-RAY DIFFRACTION23.02
3.86-4.10.3193800.2621776X-RAY DIFFRACTION29.86
4.1-4.420.30921670.23523246X-RAY DIFFRACTION55.34
4.42-4.860.32662340.21033909X-RAY DIFFRACTION66.98
4.86-5.560.29722260.2194462X-RAY DIFFRACTION75.6
5.56-7.010.29972710.25835438X-RAY DIFFRACTION91.43
7.01-127.610.24893070.23115947X-RAY DIFFRACTION99.36
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)
15.90968563225-0.2276434146552.780854108775.90727614796-1.060160471723.572685572-0.584444359382-1.04727034654-1.298778226650.9344264225730.6683162594080.933158123908-0.234344396306-0.2129280611740.02559491989460.6512415960760.332163213517-0.1887241011090.9719586454130.3685486085231.22551928183-3.3789903334930.707256887270.3520115109
23.33543734578-1.640657143331.380791479963.11685266843-1.278989695272.4611160637-0.0869222281549-0.4445660362370.0357250317117-0.15113409299-0.0986272266786-0.62659151244-0.8912796414820.09314457919380.4636899446180.478055630582-0.2186038564410.2399130673491.15147122711-0.05695433892070.688975892176-1.6125321543923.279844847162.4343928016
33.375202662932.57794249411-0.2361256317443.434623795981.124420024281.17546223999-1.790531326180.707368221027-0.404370505181-0.399388561135-0.157458089361-0.238018019841-1.71404485754-0.8364734194372.023367915741.320704191720.195911864206-0.03333002891830.729103902097-0.01332949684570.939465231253-9.0686019631417.004517848765.9919788471
40.28569623888-0.9884130637570.07156557243336.813481815312.941573584956.10084608829-0.3475642481-0.344704223712-0.540396169970.683915246516-0.07622006671190.279253827837-1.11502864534-0.4414998515350.608557879590.542409933149-0.0279152750759-0.05294312148610.9123852378020.01075109460660.651590979933-3.1500849841922.511201681665.9975906339
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981.55178592672-0.715177926095-0.764793438130.32965053310.3523563748670.37736255581-0.3298170510891.46965591879-1.01528939619-1.37640473719-0.176181026164-0.4579655738280.739100718506-0.3702547573480.3312222066822.37621932065-0.266880302720.1366250665721.363913088680.1805074880370.834466882701-33.474542173843.4132168105-28.2789934921
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'Z' and (resid 1 through 17 )ZA1 - 171 - 17
22chain 'Z' and (resid 18 through 52 )ZA18 - 5218 - 52
33chain 'Z' and (resid 53 through 73 )ZA53 - 7353 - 73
44chain 'Z' and (resid 74 through 107 )ZA74 - 10774 - 107
55chain 'Z' and (resid 108 through 124 )ZA108 - 124108 - 124
66chain 'C' and (resid 336 through 363 )CB336 - 3631 - 28
77chain 'C' and (resid 364 through 380 )CB364 - 38029 - 45
88chain 'C' and (resid 381 through 437 )CB381 - 43746 - 102
99chain 'C' and (resid 438 through 451 )CB438 - 451103 - 116
1010chain 'C' and (resid 452 through 517 )CB452 - 517117 - 182
1111chain 'M' and (resid 1 through 17 )MC1 - 171 - 17
1212chain 'M' and (resid 18 through 33 )MC18 - 3318 - 33
1313chain 'M' and (resid 34 through 60 )MC34 - 6034 - 60
1414chain 'M' and (resid 61 through 91 )MC61 - 9161 - 91
1515chain 'M' and (resid 92 through 109 )MC92 - 10992 - 109
1616chain 'M' and (resid 110 through 137 )MC110 - 137110 - 137
1717chain 'M' and (resid 138 through 160 )MC138 - 160138 - 160
1818chain 'M' and (resid 161 through 178 )MC161 - 178161 - 178
1919chain 'M' and (resid 179 through 217 )MC179 - 217179 - 217
2020chain 'N' and (resid 1 through 90 )ND1 - 901 - 90
2121chain 'N' and (resid 91 through 216 )ND91 - 21691 - 216
2222chain 'K' and (resid 1 through 18 )KE1 - 181 - 18
2323chain 'K' and (resid 19 through 30 )KE19 - 3019 - 30
2424chain 'K' and (resid 31 through 49 )KE31 - 4931 - 49
2525chain 'K' and (resid 50 through 62 )KE50 - 6250 - 62
2626chain 'K' and (resid 63 through 76 )KE63 - 7663 - 76
2727chain 'K' and (resid 77 through 115 )KE77 - 11577 - 115
2828chain 'K' and (resid 116 through 152 )KE116 - 152116 - 152
2929chain 'K' and (resid 153 through 200 )KE153 - 200153 - 200
3030chain 'K' and (resid 201 through 216 )KE201 - 216201 - 216
3131chain 'X' and (resid 1 through 24 )XF1 - 241 - 24
3232chain 'X' and (resid 25 through 32 )XF25 - 3225 - 32
3333chain 'X' and (resid 33 through 52 )XF33 - 5233 - 52
3434chain 'X' and (resid 53 through 60 )XF53 - 6053 - 60
3535chain 'X' and (resid 61 through 73 )XF61 - 7361 - 73
3636chain 'X' and (resid 74 through 83 )XF74 - 8374 - 83
3737chain 'X' and (resid 84 through 91 )XF84 - 9184 - 91
3838chain 'X' and (resid 92 through 107 )XF92 - 10792 - 107
3939chain 'X' and (resid 108 through 124 )XF108 - 124108 - 124
4040chain 'W' and (resid 1 through 17 )WG1 - 171 - 17
4141chain 'W' and (resid 18 through 39 )WG18 - 3918 - 39
4242chain 'W' and (resid 40 through 52 )WG40 - 5240 - 52
4343chain 'W' and (resid 53 through 73 )WG53 - 7353 - 73
4444chain 'W' and (resid 74 through 99 )WG74 - 9974 - 99
4545chain 'W' and (resid 100 through 117 )WG100 - 117100 - 117
4646chain 'W' and (resid 118 through 124 )WG118 - 124118 - 124
4747chain 'E' and (resid 335 through 353 )EH335 - 3531 - 19
4848chain 'E' and (resid 354 through 375 )EH354 - 37520 - 31
4949chain 'E' and (resid 376 through 393 )EH376 - 39332 - 49
5050chain 'E' and (resid 394 through 437 )EH394 - 43750 - 93
5151chain 'E' and (resid 438 through 451 )EH438 - 45194 - 107
5252chain 'E' and (resid 452 through 479 )EH452 - 479108 - 135
5353chain 'E' and (resid 480 through 494 )EH480 - 494136 - 150
5454chain 'E' and (resid 495 through 506 )EH495 - 506151 - 162
5555chain 'E' and (resid 507 through 516 )EH507 - 516163 - 172
5656chain 'J' and (resid 1 through 33 )JI1 - 331 - 33
5757chain 'J' and (resid 34 through 98 )JI34 - 9834 - 98
5858chain 'J' and (resid 99 through 122 )JI99 - 12299 - 122
5959chain 'J' and (resid 123 through 148 )JI123 - 148123 - 148
6060chain 'J' and (resid 149 through 178 )JI149 - 178149 - 178
6161chain 'J' and (resid 179 through 217 )JI179 - 217179 - 217
6262chain 'H' and (resid 1 through 60 )HJ1 - 601 - 60
6363chain 'H' and (resid 61 through 122 )HJ61 - 12261 - 122
6464chain 'H' and (resid 123 through 137 )HJ123 - 137123 - 137
6565chain 'H' and (resid 138 through 191 )HJ138 - 191138 - 191
6666chain 'H' and (resid 192 through 217 )HJ192 - 217192 - 217
6767chain 'L' and (resid 1 through 49 )LK1 - 491 - 49
6868chain 'L' and (resid 50 through 115 )LK50 - 11550 - 115
6969chain 'L' and (resid 116 through 130 )LK116 - 130116 - 130
7070chain 'L' and (resid 131 through 165 )LK131 - 165131 - 165
7171chain 'L' and (resid 166 through 190 )LK166 - 190166 - 190
7272chain 'L' and (resid 191 through 216 )LK191 - 216191 - 216
7373chain 'F' and (resid 1 through 122 )FL1 - 1221 - 122
7474chain 'F' and (resid 123 through 178 )FL123 - 178123 - 178
7575chain 'F' and (resid 179 through 217 )FL179 - 217179 - 217
7676chain 'G' and (resid 1 through 49 )GM1 - 491 - 49
7777chain 'G' and (resid 50 through 115 )GM50 - 11550 - 115
7878chain 'G' and (resid 116 through 165 )GM116 - 165116 - 165
7979chain 'G' and (resid 166 through 216 )GM166 - 216166 - 216
8080chain 'B' and (resid 335 through 353 )BN335 - 3531 - 19
8181chain 'B' and (resid 354 through 363 )BN354 - 36320 - 29
8282chain 'B' and (resid 364 through 380 )BN364 - 38030 - 46
8383chain 'B' and (resid 381 through 393 )BN381 - 39347 - 59
8484chain 'B' and (resid 394 through 437 )BN394 - 43760 - 103
8585chain 'B' and (resid 438 through 451 )BN438 - 451104 - 117
8686chain 'B' and (resid 452 through 494 )BN452 - 494118 - 160
8787chain 'B' and (resid 495 through 506 )BN495 - 506161 - 172
8888chain 'B' and (resid 507 through 517 )BN507 - 517173 - 183
8989chain 'A' and (resid 336 through 380 )AO336 - 3801 - 45
9090chain 'A' and (resid 381 through 518 )AO381 - 51846 - 183
9191chain 'Y' and (resid 1 through 24 )YP1 - 241 - 24
9292chain 'Y' and (resid 25 through 32 )YP25 - 3225 - 32
9393chain 'Y' and (resid 33 through 52 )YP33 - 5233 - 52
9494chain 'Y' and (resid 53 through 60 )YP53 - 6053 - 60
9595chain 'Y' and (resid 61 through 73 )YP61 - 7361 - 73
9696chain 'Y' and (resid 74 through 83 )YP74 - 8374 - 83
9797chain 'Y' and (resid 84 through 117 )YP84 - 11784 - 117
9898chain 'Y' and (resid 118 through 124 )YP118 - 124118 - 124

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