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- PDB-7ufk: Crystal structure of chimeric omicron RBD (strain BA.2) complexed... -

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Basic information

Entry
Database: PDB / ID: 7ufk
TitleCrystal structure of chimeric omicron RBD (strain BA.2) complexed with human ACE2
Components
  • Angiotensin-converting enzyme 2
  • Spike protein S1
KeywordsVIRAL PROTEIN/HYDROLASE / ACE2 / RBD / VIRAL PROTEIN-HYDROLASE complex
Function / homology
Function and homology information


positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / regulation of systemic arterial blood pressure by renin-angiotensin / tryptophan transport / positive regulation of gap junction assembly / regulation of vasoconstriction / regulation of cardiac conduction ...positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / regulation of systemic arterial blood pressure by renin-angiotensin / tryptophan transport / positive regulation of gap junction assembly / regulation of vasoconstriction / regulation of cardiac conduction / peptidyl-dipeptidase activity / maternal process involved in female pregnancy / angiotensin maturation / metallocarboxypeptidase activity / Metabolism of Angiotensinogen to Angiotensins / Attachment and Entry / carboxypeptidase activity / negative regulation of signaling receptor activity / positive regulation of cardiac muscle contraction / regulation of cytokine production / viral life cycle / blood vessel diameter maintenance / brush border membrane / regulation of transmembrane transporter activity / negative regulation of smooth muscle cell proliferation / negative regulation of ERK1 and ERK2 cascade / cilium / metallopeptidase activity / endocytic vesicle membrane / positive regulation of reactive oxygen species metabolic process / virus receptor activity / regulation of cell population proliferation / regulation of inflammatory response / endopeptidase activity / Induction of Cell-Cell Fusion / Potential therapeutics for SARS / entry receptor-mediated virion attachment to host cell / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / receptor-mediated virion attachment to host cell / symbiont entry into host cell / membrane raft / apical plasma membrane / endoplasmic reticulum lumen / cell surface / extracellular space / extracellular exosome / zinc ion binding / extracellular region / membrane / identical protein binding / plasma membrane
Similarity search - Function
Collectrin-like domain profile. / Collectrin domain / Renal amino acid transporter / Peptidase family M2 domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Neutral zinc metallopeptidases, zinc-binding region signature.
Similarity search - Domain/homology
Angiotensin-converting enzyme 2
Similarity search - Component
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.38 Å
AuthorsZhang, W. / Shi, K. / Geng, Q. / Ye, G. / Aihara, H. / Li, F.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI089728 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI110700 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM118047 United States
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2022
Title: Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Authors: Zhang, W. / Shi, K. / Geng, Q. / Ye, G. / Aihara, H. / Li, F.
History
DepositionMar 22, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 19, 2022Provider: repository / Type: Initial release
Revision 1.1May 3, 2023Group: 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.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Angiotensin-converting enzyme 2
B: Angiotensin-converting enzyme 2
E: Spike protein S1
F: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)192,50026
Polymers187,1254
Non-polymers5,37622
Water39622
1
A: Angiotensin-converting enzyme 2
E: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,96512
Polymers93,5622
Non-polymers2,40310
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Angiotensin-converting enzyme 2
F: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,53514
Polymers93,5622
Non-polymers2,97312
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)80.397, 117.861, 113.018
Angle α, β, γ (deg.)90.000, 92.130, 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 19 through 30 or resid 32...
d_2ens_1(chain "B" and (resid 19 through 30 or resid 32...
d_1ens_2(chain "E" and (resid 334 through 479 or resid 481 through 516 or resid 523 through 526))
d_2ens_2(chain "F" and (resid 334 through 345 or (resid 346...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERASPA1 - 12
d_12ens_1PHETHRA14 - 416
d_13ens_1ILEALAA418 - 596
d_14ens_1ZNZNB
d_21ens_1SERASPG1 - 12
d_22ens_1PHETHRG14 - 416
d_23ens_1ILEALAG418 - 596
d_24ens_1ZNZNH
d_11ens_2ASNPROR1 - 146
d_12ens_2ASNGLUR148 - 183
d_13ens_2THRGLYR185 - 188
d_21ens_2ASNPROT2 - 147
d_22ens_2ASNGLYT149 - 188

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.954095096804, 0.243535850778, 0.174335411323), (0.187001535438, 0.0297102954033, 0.98191024238), (0.233950789696, 0.969436737355, -0.0738880251984)11.3580186792, -23.4317715931, 0.686748844341
2given(-0.978725969085, 0.197317267008, 0.0562260933984), (0.0662477573016, 0.0445566057589, 0.996807876943), (0.194182162134, 0.979326607942, -0.0566805335667)18.2218976581, -23.0610292054, 0.286034391443

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Components

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Protein , 2 types, 4 molecules ABEF

#1: Protein Angiotensin-converting enzyme 2 / ACE-related carboxypeptidase / Angiotensin-converting enzyme homolog / ACEH / Metalloprotease MPROT15


Mass: 69153.664 Da / Num. of mol.: 2 / Fragment: UNP residues 19-615
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ACE2, UNQ868/PRO1885 / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q9BYF1, angiotensin-converting enzyme 2
#2: Protein Spike protein S1


Mass: 24408.705 Da / Num. of mol.: 2 / Fragment: receptor-binding domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Production host: Spodoptera frugiperda (fall armyworm)

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Sugars , 4 types, 14 molecules

#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#8: 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


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 8 / 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 , 5 types, 30 molecules

#6: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#9: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#10: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#11: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 22 / 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: 2.86 Å3/Da / Density % sol: 56.99 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop
Details: 100 mM Tris, pH 8.5, 18-22% PEG6000, 100 mM sodium chloride

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-1 / Wavelength: 0.979 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Feb 23, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.38→81.6 Å / Num. obs: 43192 / % possible obs: 51.4 % / Redundancy: 4 % / Biso Wilson estimate: 66.19 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.043 / Net I/σ(I): 17
Reflection shellResolution: 2.38→2.71 Å / Num. unique obs: 2160 / CC1/2: 0.673

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: PDB entry 6VW1

6vw1


Resolution: 2.38→29.01 Å / SU ML: 0.3259 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 34.0653
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2353 2110 4.89 %
Rwork0.1919 41024 -
obs0.194 43134 51.39 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.96 Å2
Refinement stepCycle: LAST / Resolution: 2.38→29.01 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12724 0 341 22 13087
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001413422
X-RAY DIFFRACTIONf_angle_d0.38818228
X-RAY DIFFRACTIONf_chiral_restr0.05571976
X-RAY DIFFRACTIONf_plane_restr0.00292323
X-RAY DIFFRACTIONf_dihedral_angle_d10.09684888
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.85784651525
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.557953409767
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.38-2.440.414130.387885X-RAY DIFFRACTION1.59
2.44-2.50.411180.3928278X-RAY DIFFRACTION5.36
2.5-2.570.485240.3677522X-RAY DIFFRACTION9.84
2.57-2.640.4354390.3569733X-RAY DIFFRACTION14
2.64-2.730.4434300.3616715X-RAY DIFFRACTION13.31
2.73-2.830.371640.34241441X-RAY DIFFRACTION27.02
2.83-2.940.3588740.32951862X-RAY DIFFRACTION34.7
2.94-3.070.31651430.32022539X-RAY DIFFRACTION48.06
3.07-3.230.34312120.29383930X-RAY DIFFRACTION73.94
3.23-3.410.34212820.26234422X-RAY DIFFRACTION94.59
3.46-3.70.29852290.22353999X-RAY DIFFRACTION82.27
3.7-4.070.24012380.18544608X-RAY DIFFRACTION86.26
4.07-4.660.19672850.15165192X-RAY DIFFRACTION97.93
4.66-5.860.1952180.15695324X-RAY DIFFRACTION98.19
5.86-29.010.17562510.16375374X-RAY DIFFRACTION98.44
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.149787122011.56445826238-1.723942508311.363226141-1.091209442991.61017595112-0.0409992835731-0.0897106630281-0.4024614970680.0118044913967-0.0822967434292-0.3065014477550.347410136439-0.0397205554870.08277020307150.517214187758-0.0205311104745-0.01807425999330.2765860920070.1139376766070.42623406596731.2462662341-4.1597781152351.1348104117
21.21219382130.461078699891-1.184272958391.07728175901-0.09184937495752.634579852480.75526102693-0.05308906763880.8298280637911.12815040947-0.785666589513-0.731483248782-0.9754557752430.386410625437-0.07142471575470.849531245376-0.297869819086-0.08132134060240.6791829492320.4099909164111.0005196987519.6754464649.1665676034157.64956025
32.053759938580.897485411923-1.087730020270.743880495793-0.73391106691.23955159904-0.1706449098520.802288766610.245725527137-0.3816181205820.3458838924180.1480713883990.311246478928-0.592371191148-0.3025326328530.3721412218510.190819310850.09957273378470.1746715921740.403142233750.57901359734230.64472626243.4164265653138.6933219463
41.858208916230.587130990631-1.907432378971.841474140491.91164236127.71508412015-0.4039740068110.9530497334040.00395166721563-0.7498478365940.3491992211760.180472250929-0.0324290212427-0.9117386172220.06656127054040.609937320511-0.1788184651470.05482996058381.085925940230.1610175878520.4300072958361.81769430642.6448591603-15.2445004647
52.683007581740.742638688572-0.7828207030980.569411644773-0.9477352291021.67939058250.1486400013511.41133439434-0.171579413461-0.8289161397110.4578357391450.4100664876590.12944612103-1.11092024497-0.2722845492041.12854017917-0.3918509914940.002342307932041.403879306430.1675568120210.564814687737-6.8154318733333.0463030111-17.2312657911
61.270243151090.8880724157850.05705158747362.23894038737-2.376781234283.60673570665-0.01338749718721.126349911780.825490838803-0.2145026473920.5715708189850.578145084838-0.704392416538-1.12686283861-0.3175434838910.486644482864-0.01234729340480.02561284820971.209942543030.518783438260.817408940739-24.892798754837.96261408565.09545248986
71.332467101820.440311125924-0.9838282751341.65278322168-0.5076666308882.70351804345-0.4674127585010.89031283728-0.282468826607-0.3889549256460.6739578664480.1416481596150.143579550578-0.368221758039-0.03358765481790.390195124172-0.1835134263840.1210063852490.550792527685-0.05719158913440.285395978635-13.846004782720.8128949099.82208769172
82.17978611320.248821443948-0.4585246188782.64079684705-0.008802677175483.7967918777-0.2584092756390.3484134205880.184152957621-0.04711759981870.267478594609-0.177640588595-0.277589977729-0.482875584192-0.00813859472210.118525283385-0.00204214589543-0.06768736574920.434608805817-0.0290189553860.2414209527983.6872930260637.013162389711.6077600312
91.686467284270.771227222691-0.861319716141.57020061832-0.553485073931.11192385218-0.2912203439460.75405678079-0.20375717861-0.370906575190.4848535776180.09755474634660.412468301853-0.54319830045-0.1530658968670.339523818165-0.2221728367260.03864001660970.565765601067-0.01139268456790.265067998373-9.8047592676520.59903059948.45476771034
108.12155419896-3.27014937513-0.09147198294028.743362260391.467289811755.959916530180.0698285238852-0.9014444105320.4405483168470.938297493336-0.08212869568590.820712907703-1.36090142296-0.6686741586890.04084253436210.898959712038-0.1656026152330.05692415156190.4940329133360.02043578813030.287737848669-15.1712019223-3.7655418099483.8046204069
117.80234739661-0.334153263861-1.05816627993.65543491843-0.8892513851056.60160564223-0.05927052648950.6301683686360.8552959772780.05750348602140.1301362409210.717749251048-1.06639293345-0.956381323801-0.1120778185280.739984266237-0.0823949976109-0.1283849411440.5562490122470.1449817021260.426560503318-12.6998417256-2.4717690267572.3053114759
121.59515743903-0.407269743869-0.4221459676532.647482602210.2293878238222.61270991947-0.165032859190.291367685194-0.258014339823-0.0357207106982-0.03795783678180.05697627249360.10350081103-0.3004233810130.09698367856330.591254454324-0.415912415638-0.2195713274180.4257674142930.01658339809370.286057499409-2.91643291033-16.437234238571.2516921981
130.572549405258-0.486427490623-0.7714907480020.433275183580.3769832190344.873572808250.1444959954440.342543747050.851973235321-0.182720732803-0.216127252227-1.18158948805-1.030376418940.6503539452190.007676281374010.751149034053-0.00382338451710.2235646319390.6094256145040.4120109572131.2590762292933.170058702960.100972955-12.4464245648
143.975604927955.19701814148-4.490439107028.76072704966-2.89098866229.577674332980.42656073184-0.405253899942-0.1993639955061.15646326451-0.587343917367-2.13522178664-0.8581941100371.725425366370.1582764163260.720122053038-0.0933628689536-0.1541865214671.002225828090.4437099694531.4809901865739.092637292255.4925995965-5.51227868527
155.98608296163.36201314354-6.921118611464.66905113118-2.390733434838.80837025519-0.5076295841920.5004883644680.6516732125610.528002019495-0.511170486314-0.886859244837-0.5587944070893.095124808181.011294722650.652885324683-0.0863014304301-0.1245289271531.429800900380.2953990961381.6061543204948.906940903851.4612175978-5.45983122746
162.966538664830.09333815621140.109293188271.986524949960.3071957194563.9671297199-0.1763995568770.4866274225550.103405091952-0.477115933855-0.330448377014-1.087027933340.3494253978620.1336580646230.3602047390070.5804772475840.04987642720780.2938989579730.5247706829380.3129431719530.90880877302926.143100495146.0937767988-17.4122087226
171.78683227956-0.625514428734-0.1349334784532.034664984542.707310219713.90386625467-0.5600356905251.47184313061-0.0979622667234-1.46174514824-0.1052393557490.0770148192702-0.124106269654-0.8983907785260.1495881444171.14515902285-0.09496539047120.2623182983991.272139376450.1624059313810.35944516950212.989455579842.9448023056-30.3711543414
186.54221089168-0.0921324497041-2.602240674140.4973888231831.181597851883.70832229597-0.4775878097390.78718852267-0.247696040823-0.238908786572-0.198354102621-0.615831955059-0.08061371246750.1251232179990.4368201723720.359982287012-0.00808750825130.08260855116830.4658779826510.2960435653740.85965622191526.951669041751.5551235276-8.43214426929
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 19 through 317 )AA19 - 3171 - 299
22chain 'A' and (resid 318 through 431 )AA318 - 431300 - 413
33chain 'A' and (resid 432 through 614 )AA432 - 614414 - 596
44chain 'B' and (resid 19 through 82 )BG19 - 821 - 64
55chain 'B' and (resid 83 through 129 )BG83 - 12965 - 111
66chain 'B' and (resid 130 through 194 )BG130 - 194112 - 176
77chain 'B' and (resid 195 through 293 )BG195 - 293177 - 275
88chain 'B' and (resid 294 through 431 )BG294 - 431276 - 413
99chain 'B' and (resid 432 through 614 )BG432 - 614414 - 596
1010chain 'E' and (resid 334 through 369 )ER334 - 3691 - 36
1111chain 'E' and (resid 370 through 442 )ER370 - 44237 - 109
1212chain 'E' and (resid 443 through 526 )ER443 - 526110 - 188
1313chain 'F' and (resid 333 through 353 )FT333 - 3531 - 21
1414chain 'F' and (resid 354 through 380 )FT354 - 38022 - 48
1515chain 'F' and (resid 381 through 394 )FT381 - 39449 - 62
1616chain 'F' and (resid 395 through 479 )FT395 - 47963 - 147
1717chain 'F' and (resid 480 through 494 )FT480 - 494148 - 162
1818chain 'F' and (resid 495 through 526 )FT495 - 526163 - 188

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