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- PDB-7zxu: SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 ... -

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Basic information

Entry
Database: PDB / ID: 7zxu
TitleSARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody
Components
  • Beta-27 heavy chain
  • Beta-27 light chain
  • Nanobody C1
  • Spike protein S1
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Omicron BA.4 / BA.5 / RBD / antibody / Fab / Beta-27 / 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 / 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
ISOPROPYL ALCOHOL / Spike glycoprotein
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
Lama glama (llama)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.89 Å
AuthorsHuo, J. / Zhou, D. / 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: Antibody escape of SARS-CoV-2 Omicron BA.4 and BA.5 from vaccine and BA.1 serum.
Authors: Tuekprakhon, A. / Nutalai, R. / Dijokaite-Guraliuc, A. / Zhou, D. / Ginn, H.M. / Selvaraj, M. / Liu, C. / Mentzer, A.J. / Supasa, P. / Duyvesteyn, H.M.E. / Das, R. / Skelly, D. / Ritter, T.G. ...Authors: Tuekprakhon, A. / Nutalai, R. / Dijokaite-Guraliuc, A. / Zhou, D. / Ginn, H.M. / Selvaraj, M. / Liu, C. / Mentzer, A.J. / Supasa, P. / Duyvesteyn, H.M.E. / Das, R. / Skelly, D. / Ritter, T.G. / Amini, A. / Bibi, S. / Adele, S. / Johnson, S.A. / Constantinides, B. / Webster, H. / Temperton, N. / Klenerman, P. / Barnes, E. / Dunachie, S.J. / Crook, D. / Pollard, A.J. / Lambe, T. / Goulder, P. / Paterson, N.G. / Williams, M.A. / Hall, D.R. / Fry, E.E. / Huo, J. / Mongkolsapaya, J. / Ren, J. / Stuart, D.I. / Screaton, G.R.
History
DepositionMay 23, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 29, 2022Provider: repository / Type: Initial release
Revision 1.1Jul 13, 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 1.2Jul 20, 2022Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3Jan 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
E: Spike protein S1
A: Nanobody C1
H: Beta-27 heavy chain
L: Beta-27 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)86,01522
Polymers84,3184
Non-polymers1,69718
Water10,395577
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)84.106, 100.436, 105.443
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Antibody , 3 types, 3 molecules AHL

#2: Antibody Nanobody C1


Mass: 14659.114 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#3: Antibody Beta-27 heavy chain


Mass: 23532.479 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody Beta-27 light chain


Mass: 23129.549 Da / Num. of mol.: 1
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, 2 molecules E

#1: Protein Spike protein S1


Mass: 22996.928 Da / Num. of mol.: 1
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.: 1 / 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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Non-polymers , 4 types, 594 molecules

#5: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical
ChemComp-IPA / ISOPROPYL ALCOHOL / 2-PROPANOL / Isopropyl alcohol


Mass: 60.095 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C3H8O / Comment: alkaloid*YM
#8: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#9: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 577 / Source method: isolated from a natural source / Formula: H2O

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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: 2.71 Å3/Da / Density % sol: 54.55 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 4% (v/v) 2-propanol, 0.1M BIS-Tris propane, pH9.0, 20% (w/v) PEG monomethyl ether 5000

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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: May 19, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 1.89→66 Å / Num. obs: 72125 / % possible obs: 100 % / Redundancy: 27.4 % / Biso Wilson estimate: 31.82 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.313 / Rpim(I) all: 0.061 / Net I/σ(I): 7.7
Reflection shellResolution: 1.89→1.92 Å / Mean I/σ(I) obs: 0.5 / Num. unique obs: 3536 / CC1/2: 0.418 / Rpim(I) all: 0.848

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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: 7PS1

7ps1


Resolution: 1.89→65.75 Å / SU ML: 0.2301 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.8968
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.209 3756 5.21 %
Rwork0.1807 68286 -
obs0.1822 72042 99.96 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 40.2 Å2
Refinement stepCycle: LAST / Resolution: 1.89→65.75 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5735 0 111 577 6423
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00216050
X-RAY DIFFRACTIONf_angle_d0.53878212
X-RAY DIFFRACTIONf_chiral_restr0.0438892
X-RAY DIFFRACTIONf_plane_restr0.00441054
X-RAY DIFFRACTIONf_dihedral_angle_d11.70012168
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.89-1.910.36031150.32872495X-RAY DIFFRACTION99.16
1.91-1.940.33621470.30232487X-RAY DIFFRACTION100
1.94-1.970.28041220.2862508X-RAY DIFFRACTION99.96
1.97-1.990.31051240.28052509X-RAY DIFFRACTION100
1.99-2.020.29821440.26382506X-RAY DIFFRACTION100
2.02-2.060.29661430.26162486X-RAY DIFFRACTION100
2.06-2.090.3151290.24792499X-RAY DIFFRACTION100
2.09-2.130.27711280.24192506X-RAY DIFFRACTION100
2.13-2.160.2481460.22582509X-RAY DIFFRACTION100
2.16-2.210.27171560.22972519X-RAY DIFFRACTION100
2.21-2.250.26871430.21992474X-RAY DIFFRACTION100
2.25-2.30.25111630.20842498X-RAY DIFFRACTION100
2.3-2.350.24441540.21082479X-RAY DIFFRACTION100
2.35-2.410.24941300.20212523X-RAY DIFFRACTION100
2.41-2.480.24661400.19522527X-RAY DIFFRACTION100
2.48-2.550.25841340.18892533X-RAY DIFFRACTION99.96
2.55-2.630.23941480.18912495X-RAY DIFFRACTION100
2.63-2.730.21821350.18592524X-RAY DIFFRACTION99.96
2.73-2.840.19071290.17612528X-RAY DIFFRACTION100
2.84-2.960.2471290.1682558X-RAY DIFFRACTION100
2.96-3.120.18611360.16662549X-RAY DIFFRACTION100
3.12-3.320.20171450.16332526X-RAY DIFFRACTION100
3.32-3.570.16351520.1522547X-RAY DIFFRACTION100
3.57-3.930.16351660.15022540X-RAY DIFFRACTION100
3.93-4.50.15491130.13552607X-RAY DIFFRACTION100
4.5-5.670.17111450.14142611X-RAY DIFFRACTION100
5.67-65.750.18661400.19072743X-RAY DIFFRACTION99.83
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)
12.94187916301-0.410514961905-1.076327083931.532155654890.842062457924.62596566917-0.181903861602-0.743864183027-0.1787787784360.7366865966730.0288411709255-0.01226839905290.006103179351520.08058594015190.1162226070030.4734495029680.0545591801329-0.03102820828570.3379535959780.04904535803160.2303245018273.70989955001-32.144196183314.0589985846
22.71344999931-0.867319872798-0.6644149423411.94852646105-0.2810683141433.09128050238-0.0508218357929-0.3346152453610.2152272450760.5121277409230.0967381219208-0.0577730574952-0.1991462834210.00247034565256-0.04142468524610.313543228869-0.02250902686760.003042888974590.20700058399-0.02684391364880.196578148542-2.81699924313-24.35502947316.56914313716
32.344839581790.00657269184839-0.7227812037621.574601862390.3790189586661.387010541780.00126905690706-0.142132360137-0.0509938169170.0911586016184-0.0213099262537-0.02172618956210.1012810293030.0105068908060.01702010263030.26396351712-0.0172442105381-0.01151041438410.1868325335730.03081166373160.1956373638834.81569330331-31.0234215702-1.76475730593
42.32351312155-0.66594231834-0.6735794643472.05450927087-0.2734887103863.88450592656-0.1424151469920.155444829511-0.292294890997-0.08441943572110.06696180196970.2017613041840.550148193683-0.1817168747720.1037371138940.317793157306-0.06215098833490.01217098688790.16774585035-0.03179755849670.298009626222-1.06269424-44.0574881536-8.87421068433
52.56591045732-0.549432567848-0.242469159387.532909707980.9100393588542.452907904-0.1247557915720.273941728773-0.5134725039190.1423026772980.407740389886-0.5972135552590.8479959821650.840169943609-0.2293376598590.3911373603640.06549351951920.01136133500740.25479588881-0.028730113740.3042911985537.59228002047-45.3953885441-16.3721603691
63.840912983210.457256582273-0.7730969121882.26220738783-0.8519512809533.547547765750.0107952141322-0.3315816481210.005283767301240.3292723804280.006950953860190.161154530634-0.0235044530393-0.134183719806-0.04387374278680.2329923658690.00491951119645-0.02622336819150.186056737283-0.02512954274210.1832577631662.12890720048-27.88366368416.18924744139
72.845140044030.570218993881-1.091585001464.97921343079-1.39852111132.30893422233-0.5038753180731.066326352311.39022945827-0.5087586748590.8555045645321.11665350341-1.138321367550.314798518094-0.09633532387110.758498262592-0.1481377497450.06742656884120.3716647882560.07019807827150.52804554734-6.235696900463.88727274227-5.31695600069
83.583242240343.2088944136-0.5938690380073.99280255754-1.295687410372.7842918380.00426548053090.1130126222270.8032707180340.4363577243290.1998708570350.699234916805-0.525387192807-0.27118409617-0.2192769265620.3524976346150.03989210139220.04868230494940.2398126083950.02593524421330.494735008869-13.6892022691-6.242100871271.51186362638
97.108388676562.06469480961-1.200756267187.71679185439-2.618429001087.34160955016-0.489386814660.948738096602-0.0769163822083-1.114923062070.370600771902-0.856329927780.2230015029690.5208368775760.1029782846950.490013182169-0.1361601830880.0573631277380.332025673042-0.02559145846150.3579327784611.10687104016-5.68176895913-6.2788203041
105.599598208122.3713501855-2.328401480177.01743587905-3.269151281552.258113902730.297790485547-0.1969635143310.0900615531245-0.682434347172-0.1573465825460.0418723241804-0.263303721190.744751333599-0.03331882656470.3922592882820.01098293139140.009199298494190.33631480657-0.0465890703950.365116469649-0.644455332767-7.891160792960.150561798157
111.537824451871.74258141847-1.933822427337.01837107421-2.472625259588.537045238880.160761306542-0.371307312760.4592386654980.806022361711-0.176419207773-0.032144701312-0.9291001446350.5335793102960.05375223539190.38550463975-0.0318654030297-0.0120434407690.247133393999-0.06478336078740.337585708982-2.08748408695-3.308410301317.66604776268
128.15717799517-0.84055141079-0.8410971395188.60715400023-1.389907672112.655756025370.425311292913-0.4967198005440.5465361834850.7502540822610.08689356527171.00566499151-1.10254437864-0.801108285332-0.4477842820280.5385289575150.07656958999420.1550472688930.473077011834-0.01185835134340.497167378816-11.13904413791.008734773963.75668768113
132.703882318680.569813996813-0.8285958064654.75762798649-0.3724414686043.410583754420.151924803333-0.4119065694840.2885463265040.115827563479-0.160373529417-0.711909690594-0.7136794122370.7168990530750.01550679778340.460246228659-0.163873095599-0.006925847732620.3690658855520.000432418556010.4612705613071.983494360891.17946163757-3.74471399322
141.964296901821.440726185750.03797970760266.96858615329-1.698178665073.344933279210.007280069837810.24990841460.231777308053-0.4843181859840.3141077687090.191162803997-0.2567019757030.0932709751871-0.3203319947040.265889309561-0.03113823773510.01685335667380.2096656425110.00851793925250.268431736651-3.78001424187-8.90672243685-4.42748325391
151.942925608761.336949350621.161898157212.78000614269-2.028355210375.031718498590.4068330070670.510212547869-0.407639856708-0.997586027085-0.1741719024590.6559847112630.586942652033-0.468788605923-0.2393213982960.274502119094-0.0795041494414-0.01670253398370.382065986316-0.03898825669730.192791976821-10.3928951269-29.1657075868-36.4633357791
161.82445525156-0.1170680663180.7016927746552.23585400947-1.170998984623.852505342050.01749702243740.15851503208-0.0548742057631-0.0110108129485-0.03964601091520.05625125479990.147606554351-0.2851457615050.008348499825290.1928140336560.0005449711169610.0003202882236270.274100043336-0.02774982291350.230541931212-4.93235401714-29.3859791034-25.6825893187
172.35535744137-1.159459034490.3341434135922.02034925399-1.594063786822.99731587328-0.04230991526140.1526282504170.01316509181050.01920743101380.06616078323470.1745783081040.020545006267-0.503719970983-0.01620923357150.245892431742-0.0294333938459-0.006821813842240.313431382147-0.03180805385230.254030505177-6.45600352549-29.4286458632-28.7847422534
181.73720382838-0.6040250459530.002073599766472.8606573034-0.538047798256.305930686430.1801579966830.2303786636440.417600408312-0.182085498340.3342488350910.123843174490.0896101198107-0.42021609046-0.4580828575570.2115653453310.0204597684452-0.05294328900840.225819084486-0.009315004349510.272761761215-7.11584077296-15.4455693753-57.28590332
194.36519361249-0.105164234244-0.01231485232043.10516576402-0.09062657089343.460032985940.08079328122290.08196606031530.05516414383-0.3024439702860.123377553789-0.101217390252-0.07744914897450.0502843311878-0.1725708526550.24346491306-0.00719060597763-0.03587886556710.202557439799-0.009391449074320.2499831067371.21917795495-18.6995235343-58.8276082953
209.11244625344-1.37344517935-4.022103580313.228475799370.3048585649873.167165453-0.01041485915720.749824443393-0.383416251621-0.741051985081-0.0008368583401440.005443384208390.119844533726-0.265011505652-0.02416880922190.460481203204-0.044324484843-0.07924089711940.310160618542-0.05506235008540.291601848887-2.89746022223-22.8637048421-66.4776189033
212.999953978211.73003489067-2.804086713322.22923425479-1.503623495118.071974519410.201479205588-0.3677890403180.1689804514670.280263200725-0.138082162473-0.0819109238721-0.5766186898860.294320510009-0.09658784810610.252520069844-0.0305151330324-0.01809192738110.283002492373-0.01158028974150.27963772479917.5280055003-18.3424869895-27.3593180755
226.246417165860.6252336119432.611133617644.62223012669-0.8889506170236.2605045434-0.1463786632670.0585262011487-0.202860702187-0.172271934463-0.03814719148730.06302020288090.308341688440.5118241044210.176856076950.2237038750010.03112662585570.06113538344920.258447310299-0.001251480684150.24398293758212.5165843421-29.6333598846-29.1893838566
233.859077734230.100074136592-1.119954706773.07931838913-0.308254302556.53107593380.00453540401079-0.0770750683551-0.0720997373529-0.0107488499423-0.0815728632873-0.06461438632990.1515248756630.02139782117360.07466130530410.191899694611-0.01387065613180.0001458678757390.2204186536980.01330781044530.24372502473615.383026796-25.5533067545-29.3779203224
246.01282901101-2.740165809662.390804074133.73850113074-2.315474812043.571588542310.06945220605190.513434812790.045833016311-0.538459921436-0.06208030392820.2208890951490.1426219725370.062937920089-0.03006544128420.300787817146-0.00244405863409-0.009663483299110.2032835043370.01214270255640.2235631710625.9363973428-9.31313397595-61.6951361022
254.62966837777-2.922128281291.056264259645.23730988275-2.890747969132.491785177750.0446359878551-0.03374365208880.09025709786470.0398883039851-0.0692927359521-0.0982140652587-0.2021572257230.1003900908950.02008956569940.270956498432-0.007526220103130.01677427990470.221059482974-0.03219658492120.18599139303410.8084686562-8.17647773543-53.189887992
268.26628725296-1.802224498243.195504555044.03011779086-2.408228205234.22695664169-0.2813615928720.2911640298380.804998022603-0.373876390037-0.0471768951095-0.0349534423305-0.2491299329460.01068896831470.3020856106870.3911996647970.03250450778380.00495382642190.144489025401-0.03158901917270.2820702503175.95765859778-0.384556173494-62.4018218063
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'E' and (resid 333 through 364 )EA333 - 3643 - 34
22chain 'E' and (resid 365 through 421 )EA365 - 42135 - 91
33chain 'E' and (resid 422 through 459 )EA422 - 45992 - 129
44chain 'E' and (resid 460 through 479 )EA460 - 479130 - 149
55chain 'E' and (resid 480 through 494 )EA480 - 494150 - 164
66chain 'E' and (resid 495 through 527 )EA495 - 527165 - 197
77chain 'A' and (resid 1 through 17 )AJ1 - 171 - 17
88chain 'A' and (resid 18 through 32 )AJ18 - 3218 - 32
99chain 'A' and (resid 33 through 44 )AJ33 - 4433 - 44
1010chain 'A' and (resid 45 through 52 )AJ45 - 5245 - 52
1111chain 'A' and (resid 53 through 73 )AJ53 - 7353 - 73
1212chain 'A' and (resid 74 through 83 )AJ74 - 8374 - 83
1313chain 'A' and (resid 84 through 99 )AJ84 - 9984 - 99
1414chain 'A' and (resid 100 through 124 )AJ100 - 124100 - 124
1515chain 'H' and (resid 1 through 17 )HM1 - 171 - 17
1616chain 'H' and (resid 18 through 63 )HM18 - 6318 - 63
1717chain 'H' and (resid 64 through 113 )HM64 - 11364 - 113
1818chain 'H' and (resid 114 through 138 )HM114 - 138114 - 132
1919chain 'H' and (resid 139 through 192 )HM139 - 192133 - 186
2020chain 'H' and (resid 193 through 218 )HM193 - 218187 - 212
2121chain 'L' and (resid 1 through 30 )LS1 - 301 - 30
2222chain 'L' and (resid 31 through 55 )LS31 - 5531 - 55
2323chain 'L' and (resid 56 through 106 )LS56 - 10656 - 106
2424chain 'L' and (resid 107 through 137 )LS107 - 137107 - 137
2525chain 'L' and (resid 138 through 174 )LS138 - 174138 - 174
2626chain 'L' and (resid 175 through 213 )LS175 - 213175 - 213

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