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- PDB-7xa7: Crystal structure of SARS-CoV-2 receptor-binding domain in comple... -

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Basic information

Entry
Database: PDB / ID: 7xa7
TitleCrystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2
Components
  • Angiotensin-converting enzyme
  • Spike protein S1
KeywordsVIRAL PROTEIN / complex
Function / homology
Function and homology information


Hydrolases; Acting on peptide bonds (peptidases) / peptidyl-dipeptidase activity / carboxypeptidase activity / metallopeptidase activity / symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation ...Hydrolases; Acting on peptide bonds (peptidases) / peptidyl-dipeptidase activity / carboxypeptidase activity / metallopeptidase activity / symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / membrane fusion / entry receptor-mediated virion attachment to host cell / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / cilium / symbiont-mediated suppression of host innate immune response / apical plasma membrane / receptor ligand activity / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / symbiont entry into host cell / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / proteolysis / extracellular space / metal ion binding / identical protein binding / membrane / plasma membrane / cytoplasm
Similarity search - Function
Collectrin domain / Renal amino acid transporter / Collectrin-like domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Peptidase family M2 domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal ...Collectrin domain / Renal amino acid transporter / Collectrin-like domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Peptidase family M2 domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, 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 superfamily, coronavirus / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2
Similarity search - Domain/homology
Angiotensin-converting enzyme / Spike glycoprotein
Similarity search - Component
Biological speciesRhinolophus affinis (intermediate horseshoe bat)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.31 Å
AuthorsTang, L.F. / Zhang, D. / Han, P. / Qi, J.X.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)32192452 China
CitationJournal: Int J Biol Sci / Year: 2022
Title: Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Authors: Tang, L. / Zhang, D. / Han, P. / Kang, X. / Zheng, A. / Xu, Z. / Zhao, X. / Wang, V.Y. / Qi, J. / Wang, Q. / Liu, K. / Gao, G.F.
History
DepositionMar 17, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Dec 21, 2022Provider: repository / Type: Initial release
Revision 1.1Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Nov 6, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Angiotensin-converting enzyme
B: Spike protein S1
C: Angiotensin-converting enzyme
D: Spike protein S1
E: Angiotensin-converting enzyme
F: Spike protein S1
G: Angiotensin-converting enzyme
H: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)380,49416
Polymers379,3478
Non-polymers1,1468
Water75742
1
G: Angiotensin-converting enzyme
H: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,1234
Polymers94,8372
Non-polymers2872
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Angiotensin-converting enzyme
B: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,1234
Polymers94,8372
Non-polymers2872
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2180 Å2
ΔGint-38 kcal/mol
Surface area34610 Å2
MethodPISA
3
C: Angiotensin-converting enzyme
D: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,1234
Polymers94,8372
Non-polymers2872
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2180 Å2
ΔGint-34 kcal/mol
Surface area34350 Å2
MethodPISA
4
E: Angiotensin-converting enzyme
F: Spike protein S1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,1234
Polymers94,8372
Non-polymers2872
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2100 Å2
ΔGint-37 kcal/mol
Surface area34150 Å2
MethodPISA
Unit cell
Length a, b, c (Å)63.943, 130.849, 564.829
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

#1: Protein
Angiotensin-converting enzyme


Mass: 69714.430 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rhinolophus affinis (intermediate horseshoe bat)
Production host: Escherichia coli (E. coli)
References: UniProt: A0A7D7FA76, Hydrolases; Acting on peptide bonds (peptidases)
#2: Protein
Spike protein S1


Mass: 25122.336 Da / Num. of mol.: 4 / Fragment: Receptor binding domain
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: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION
#4: 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.: 4 / Source method: obtained synthetically / Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
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
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 42 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationY

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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: 3.23 Å3/Da / Density % sol: 61.95 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 0.2 M sodium acetate trihydrate, 0.1 M sodium citrate pH 5.5, 5 % (w/v) PEG 4000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NFPSS / Beamline: BL19U1 / Wavelength: 0.979 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 23, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 3.3→50 Å / Num. obs: 69914 / % possible obs: 96.5 % / Redundancy: 8.9 % / Biso Wilson estimate: 86.59 Å2 / Rmerge(I) obs: 0.218 / Net I/σ(I): 8.8
Reflection shellResolution: 3.3→3.42 Å / Redundancy: 8.3 % / Rmerge(I) obs: 1.345 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 7015 / % possible all: 99.2

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Processing

Software
NameVersionClassification
PHENIX1.19rc3_4028refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6LZG

6lzg


Resolution: 3.31→40.28 Å / SU ML: 0.4338 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.1561
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2537 1993 2.86 %
Rwork0.2328 67665 -
obs0.2333 69658 96.08 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 90.55 Å2
Refinement stepCycle: LAST / Resolution: 3.31→40.28 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms25740 0 60 42 25842
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001926536
X-RAY DIFFRACTIONf_angle_d0.487136032
X-RAY DIFFRACTIONf_chiral_restr0.03823740
X-RAY DIFFRACTIONf_plane_restr0.00464660
X-RAY DIFFRACTIONf_dihedral_angle_d4.0733500
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.31-3.390.36061400.35394740X-RAY DIFFRACTION95.05
3.39-3.480.37291430.31594855X-RAY DIFFRACTION99.62
3.48-3.580.31991470.29814982X-RAY DIFFRACTION99.77
3.58-3.70.30121440.28454893X-RAY DIFFRACTION99.62
3.7-3.830.3281470.27314971X-RAY DIFFRACTION99.44
3.83-3.990.29971460.25434952X-RAY DIFFRACTION99.18
3.99-4.170.23821440.25184886X-RAY DIFFRACTION98.69
4.17-4.390.24281430.23044882X-RAY DIFFRACTION97.86
4.39-4.660.22411450.21624891X-RAY DIFFRACTION97.45
4.66-5.020.21431430.20964859X-RAY DIFFRACTION96.68
5.02-5.520.27791430.21814835X-RAY DIFFRACTION96.16
5.52-6.320.27311430.23424870X-RAY DIFFRACTION95.14
6.32-7.950.20531400.20694751X-RAY DIFFRACTION92.32
7.95-40.280.18041250.16954298X-RAY DIFFRACTION79.75
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)
11.70812411760.06024381403391.208499608880.161698057814-0.1543147014580.31470815964-0.05014468951520.298971832280.0623000447496-0.2415381642020.0528948699439-0.160246747456-0.2388871888180.2589727914820.006933906577530.8490032618840.007326582316880.1807457505140.941893157578-0.06912551882080.59130016862619.614176374220.657101940634.5641859578
21.060491479860.2066102782950.2517717112632.022211195150.0122390226232.076569529460.06779818357650.1120878864-0.0977356647399-0.5691473591570.0510508683688-0.42383317952-0.03444414201480.0898031523829-0.1094570289360.5217734290570.05313082439320.154974255190.711864639201-0.08815838914420.44243478432224.82092289417.2405708062150.6817068475
30.904270535945-0.3385889285550.7428182714611.960874784240.8758263761492.692391992560.0969418787994-0.118845628926-0.0271416211211-0.04196739250280.0474595308853-0.169578835523-0.140728934259-0.423817688378-0.1498637073280.5021140155420.01873605143620.07362221188640.657745435219-0.03739954817910.38655036560423.846089079411.980944805459.6906081404
45.63275373314-0.4933584015651.051183243110.240872803355-1.200701242685.56652782247-0.1620558654791.51645499166-0.6927894784-0.264793840551-0.2708988411950.3100829905080.491840506456-0.1717541182420.5844885420520.962231570121-0.02310935393170.04720266138291.16615614599-0.2123725922340.562720227162-17.0919835411-0.51653533927210.5719989758
52.073100784073.408161101251.510881179592.1379601258-1.648806278084.418051929840.3831849844160.387267816717-1.516404087220.321396855166-0.5086275429390.1044773338691.05082687504-1.46580950301-0.182343306241.26988773071-0.139422225657-0.03297144727231.14777549818-0.403392478140.938898295607-21.6326182265-9.3886707726121.2391315618
62.023954959173.163743775691.151582791152.20063510445-1.805983372574.11787149249-0.0735849544504-0.1385742811420.06954364512680.848563334202-0.851247375267-0.1080694516970.246213048044-0.5396608319960.3609325123060.999685434828-0.03725263118330.08058560104091.27239823196-0.4850104472920.314532748764-13.64190942764.3832042353821.9166876103
76.085047337562.000077113483.396491754684.28079055481-0.7073947465662.790889257980.4566586048960.19985425888-0.303024501592-0.016651431887-0.5521294747180.78637599882-0.236813643996-0.3785740223320.1068247181480.8063830086080.04992748307410.03520242181890.922478844639-0.2792230932790.462772028578-14.70102191685.0036973007324.3676756436
80.2638076299820.5322896157820.7371513974640.6693800598770.1896568111591.612021603940.2079043534650.146319963230.0629097480913-0.114906616375-0.1813081709680.0884684178135-0.1272598302550.1239481128010.03114434747480.7942355936840.04585195202310.0753166504661.08523337732-0.08411040346150.434202788065-7.9547797946716.077740067821.2268953187
99.214558309197.101109234265.960124442769.934145457874.654104604753.8627498996-0.6428027541911.3580173851-0.801972641576-1.76792309487-0.1043584386180.845934311073-1.203046872020.9975948719650.7411504657261.30831233875-0.1486388408460.2944690746561.17238452358-0.39432421940.86970570196-33.6108864601-5.5803908625111.691375979
100.3170042067930.512633663814-0.02328660132321.45835261637-1.291232321351.03902300657-0.206908098194-0.397123129382-0.200466916987-0.161503079403-0.105017653303-0.7201501431620.34480028480.6354200422630.3520653306110.6505721615960.2226181195750.05991924277221.367455809330.01054627460020.892805564562.0906978390569.9835896787106.87818423
112.67718424973-0.05235082385430.9623638460542.33282435291-0.7127245379671.69319085626-0.223015097997-0.139370803670.0237125983949-0.3974018677260.0078932852887-0.02544681943880.154291518787-0.1090288393040.1983206430570.6308473643080.04921497855150.08710215237280.752901329501-0.08819210975620.347638487122-7.0488349255487.299056424985.826291693
121.869343290010.909931128837-0.7932242683513.72823870709-1.880292511871.31789560823-0.1549397245430.0645033125398-0.0820142763813-0.3490257673610.2192110474680.333607619813-0.0764829362313-0.329531602096-0.1204731821810.560785510030.0562155196728-0.07566763730870.720579878265-0.1464211228320.407758747056-27.982181584680.628107719590.0723039378
136.94228629687-0.4493717330632.427237804413.63417124001-0.6347572078443.865062155620.00602863949845-0.7476067617170.7279462528740.0655041600247-0.0660719725087-0.125131460818-0.08935804415960.1011079438610.1459298893740.3594249352590.05752380700840.06519418335450.921274713266-0.09144181698560.465628302994-21.758856328673.4292405805103.983768078
141.027197999740.801581598393-0.2888671621822.62852600791-0.1101327984691.00930266522-0.1624696287410.107531681546-0.0296101500038-0.6889357087970.0085824528830.02937396996310.0656573004266-0.02078680331260.1534845430450.6201721423040.04871704023290.01568317898510.891070023106-0.1257871725230.359953580827-13.377123270281.455469564684.4962993213
151.575146060.61955450558-0.650799038263.33899066081-1.182392569422.52667027931-0.2862073363750.445132126631-0.251606696582-1.011857462140.1109290591970.01925614689560.5619541323640.09684284458420.1761891251780.792633639848-0.01981601486870.03196934699350.693669619317-0.157438907190.438279288939-18.575333222770.069220514378.9467979256
160.2874681020631.376515059990.7658860476667.955432218471.463277581834.44511472462-0.155959314170.0736469419205-0.248487657360.518957976685-0.4166975950961.647928481220.299906382403-1.122318853180.499362264990.5915476695810.1303125601510.2190173514791.446530876860.1615238391291.22722161543-22.48551567938.0706027157128.584168054
172.76059330830.314931684615-0.437516681643.84369230742-0.4024759408282.39880416762-0.22078422318-0.418737248324-0.429407981249-0.1559677392480.0988881099448-0.8074646158570.5693069989381.052138898270.144063158230.6478351885270.2339465864820.06511763651.154836050590.1630971644110.663709355821-5.7768634156247.7191576236119.938548132
182.99399910630.369427557656-0.3688797990363.93064775063-0.4845629141682.700500307150.0304933948736-0.419622961586-1.317604978590.453375659181-0.09814544808760.07982120965441.083997371610.1822228570540.144769094720.8607613106240.191007138608-0.02347385201231.065005562310.1867969511310.959885724044-20.169484698832.3262316351128.987048027
193.10257136342-0.25232551111-1.008155585462.56166270282-0.3453021882273.1438968010.02572723620380.8523696763610.1119399310280.0860198397655-0.0133886439498-0.3671053312480.1996446944140.2688101144620.02902089548010.400761530140.100381223175-0.06044737726450.976776332805-0.1860999388230.80198273387529.3952449329-9.4284650428198.1039089855
201.946165268153.00876736925-1.323286646524.91322573424-1.643977855831.20240174995-0.1357902413390.117709602891-1.03723214264-0.141238373442-0.215165119502-1.191513126330.214393844746-0.2367658160320.3837158496760.5461610013180.112201191554-0.03633341795171.2265862112-0.2130699976030.98231675459931.4000449825-19.64363019108.609064506
210.3779455685430.00753993202779-0.679895231943.303214773581.503862917813.36910684382-0.231973710110.983561773537-0.0885009424071-0.392706867347-0.3640734957130.910239750110.0515026326403-1.429175738940.6967792035470.654870879596-0.0235817564429-0.006160892205861.36367135688-0.3440786797481.013437766114.40744292077-29.1468586334118.041954944
220.975569950011-0.240690852843-0.9305143251474.0376389461.887224302914.528547239720.279664310662-0.07193168568990.04636544604980.0141068703086-0.270282992539-0.15096863218-0.1998227460940.3168818856110.006173602335140.4142288445690.00313670627129-0.1307766118130.832268545201-0.06411594268710.3911108046522.3037901325-15.7009801664130.301317078
231.192616044760.102514961043-0.3989141750931.57530714868-1.351785525241.929970494650.1706319957830.09474003368070.107401055620.0389742628399-0.02644518578220.606734708963-0.0453293223599-0.708374250029-0.1434793476440.4761438988160.0450793344228-0.0009115155640791.1990156645-0.326723345640.7723705876769.0065605639-7.93719608902121.044254562
242.604206045982.13998177282-1.639581270262.68371245401-2.340169256333.040845397990.2856066470640.0498296652702-0.1263038909880.440775391093-0.200948586633-0.146706271487-0.307770494898-0.113180959055-0.08820646708040.460169108765-0.016055025254-0.03875243316731.05863127272-0.1906339693620.66962417161916.8763479517-2.5361506758132.436261678
255.117351591360.971181027787-1.825223898876.42825528024-0.09610160999974.82975947196-0.4888676890320.845826012992-0.628356574989-0.3082319137430.2304834541790.395432270027-0.687309212786-0.7799833537990.2476247047720.5185616139850.0490162670848-0.01889481323721.15098567159-0.1600456077330.70530097177131.613844451819.83896438379.0461744035
267.74401115026-1.67542622465-0.8170418812697.90659183142-1.686891015776.19382170409-0.319279325561-0.2187496205241.358743681260.1239657526610.2085321300570.529549392116-1.45038588869-0.5286939989680.02826336892480.8029412190250.149415497494-0.1249516802170.831918062354-0.1546691948421.1075736760332.101438884931.618743725185.3940749805
274.108136982471.33074117662-0.8406950309469.57638210403-1.350027933316.70476772430.089733452916-0.0113470081464-0.03311965997660.5027367689360.110055664849-0.576152181441-0.6849621385651.01219663212-0.2401006960180.414901098369-0.06350940046470.02869126094790.728016638038-0.1680737067780.5834756608536.579921324517.849875645391.738999711
281.691691994041.07845576476-0.9511359701843.136194199180.8905602679724.692141896040.0666675563515-0.450521257362-0.1016958924220.00792533626771-0.0992406597732-1.97678091447-0.6753383574091.315537692340.1346113471690.433926364375-0.0429360368194-0.1879558841031.27142860188-0.2147173460491.1526553714243.252910696518.246345595592.9245385824
292.173904981544.17693725917-0.4828929487467.79736027925-0.9784896965824.09882936091-0.156970563709-0.062313875910.352526734638-0.350234824640.3914267534610.137571163882-0.104367437183-0.228261128905-0.06680572293180.4254957638130.2280295835050.02264168901270.789826353665-0.1053541360840.4201559542131.63590059719.0461411404788.3547677968
300.1429999814740.947378775483-0.09500509441256.06480491999-2.043519948964.40362632549-0.309046386555-0.0959589481994-1.04598764013-0.385609394412-0.39707119649-1.814714029660.338808610180.9044411556540.4187273779860.29466400198-0.07408303357820.07959427413381.15634404003-0.03969208408111.2375079044449.62996518665.589279804488.4430212744
310.53544609833-0.7658648078720.5674267588918.10108854295-2.876275036134.44311813133-0.171570143131-0.275528354694-0.411411257867-0.95378563397-0.543419975868-1.653314562760.9543074341710.7792401351870.3417266462770.590756344360.1695306680940.1413167739981.15151141921-0.1910505794680.91206495635545.9861958873-5.6242405730789.7538383634
320.981294175332-0.8800044183310.2220079824078.04688871187-2.645429195784.43933756509-0.195769142063-0.664746686265-0.223122318944-0.07152876834730.5185311496240.418256163805-0.501345774918-0.703159548729-0.3779808125230.3569410090460.157903994526-0.03448322996940.989009230882-0.1273494889850.62282304349228.881605103113.47950866790.3604192286
335.61589542954-6.14917423951-0.07398937670199.90410392894-2.432633302825.536215189060.3761878879330.6302496463560.382899175181.06821500187-1.240517339420.668387998569-0.7797398327890.8079102306760.8326837089541.168094823560.1112881579550.05892384218170.9316938847970.1480451402131.2223607115741.301933954438.811946669778.7648591573
342.0678579782-1.43292243232.783271928666.83203157011-3.176406604064.21821495485-0.500956351699-0.02797718967990.3869564025573.884787044980.320536360468-0.849189420586-1.39209126271-0.2472767951420.3489096253281.59876552423-0.129759349956-0.04965465313071.12478967276-0.2179939422680.7244652068430.479936808680.477033458240.2976513641
351.626367905831.17871411226-0.428115801330.8603912027220.2443068442471.11868467255-0.070004010266-0.2157738272470.1332433464470.175633652804-0.3265364304410.1856173659510.272880408046-0.3330024864150.4437474942171.0653514388-0.000364696161910.04700439674750.884235802695-0.1201678106570.62049097406918.501212569778.21586611134.863768014
361.926556321840.5106727964390.2793772301614.126479033821.607423700140.977725249765-0.0677326801335-0.496530959225-0.08130844479731.48822700231-0.1144336481190.2403013614470.448496972727-0.5608158526730.3742908369721.20262878829-0.09033254286320.2408904150991.04052804146-0.09704520976510.5731448290018.4597114064454.997225175221.5405335123
371.831594943510.6886781478730.3731132289474.391823245981.565404064220.701995610518-0.3592385457950.177355612170.255123327846-0.2041246012130.1866828161660.193801615611-0.406026863498-0.1110317291690.08577796250611.201512165040.0762699283761-0.02150957599440.861775516191-0.01174614128950.40654350045422.847185566170.70648798468.53629032912
382.31000595884-0.6578875921850.8498537721231.967455440740.7436428518522.914010242010.0346455167630.10294586764-0.2748015435460.566396144198-0.2229986687410.04581522379120.6297431451020.07432664906480.1677002508311.05989146488-0.1385619706080.06132246242730.82677793171-0.0451089174220.5082213099831.783161881448.18429221115.3052406945
392.70235594246-0.62593317148-0.1465871971892.62344017510.6582635882643.09357463413-0.0896831956184-0.953153905574-0.04375262186641.04181040399-0.4900815669590.220339173583-0.5347032505210.5991264012510.6060891760881.4591288025-0.0742653548325-0.06553972482061.12746270670.01494691474650.52827017339437.933869291760.102967634533.2251469827
402.14371102316-0.4241195632910.3467894633172.396287723490.1939625083682.110022327080.02444476181-0.1901152502990.05762348266980.460913895255-0.00227206475229-0.459827000311-0.146645516090.280191188458-0.02793394026711.24973398699-0.0859923773203-0.2405163442751.10047082-0.05968390469550.45105128302341.481353287160.18352030219.1114056999
410.977960980242-0.29795567185-0.9022933681671.896544330920.841384066891.557583180040.1494056044040.08470612929420.2251674304990.0298563442652-0.2867289540930.214343810842-0.249272661836-0.4510026917810.1519079458881.135731203120.0441286024268-0.002101932673271.09776743178-0.1809241428750.48926560377315.086687868962.079102869810.9875850044
423.053963448590.05130551674551.081744967811.94721635783-0.2889849967521.54209055495-0.0870844651795-0.2197040266070.1126857887420.644393931901-0.265695832346-0.206808786885-0.4063930678270.1489845356710.1665119964170.992723216589-0.269022789569-0.07470296123690.885934295113-0.04892844017580.51451487170141.618024053169.728374746814.0724792476
432.971565424440.3579752895590.9027476052361.64900344569-0.4183478576921.404658098220.1750363906780.489762388741-0.4340760251740.2366268205640.0150286626769-0.0699460335627-0.106734070126-0.185464362588-0.1156346555870.920201795356-0.0211328640865-0.08840384598850.98672132764-0.08709049615210.40493869919626.943665370258.3876807908-1.02704322178
440.943211920742-0.854388637677-1.534786085242.807695133161.521325041372.57949355679-0.2341062013310.577147431698-0.0422561766974-0.1969908611770.49101439075-0.380224747066-0.7506011892720.656905614153-0.205519680981.40333151656-0.191039502669-0.04897176286611.34252843174-0.1952083302370.66720593810656.651536002985.012326498460.1696030038
451.885343483782.05988942498-1.807844994643.73934088875-0.8741709063034.94968868526-0.1657210044-0.0752772757557-0.579906965234-1.18553319940.282706894436-1.887046184960.1448714771461.21402789887-0.1988775281581.14127271842-0.07294753810980.29662273141.50743165073-0.0725216238711.1841621677468.716382870283.162352748951.391640086
461.803601798940.4864458323380.4937942396992.33194308561.121608067062.94958093356-0.409473723050.7690914541510.213619422496-1.442938844760.381218772897-0.1539107171190.1080531493540.3561247756810.05414498932071.70966720602-0.3150324661540.02829995427221.29648967885-0.03398074422810.56753901651548.929205598287.885997345648.8697925507
474.0956121151-5.949915888542.427974380678.7718010508-3.839311654091.897425692720.506950100774-0.00766741347417-0.66448427503-0.8313671245810.2681637308051.30110582364-0.555611791978-0.125923861831-0.7126473700111.18280114185-0.0724806733046-0.1860051342270.9116115743540.07202395166691.0212428759328.640165172697.05539132849.325580722
482.30599293549-0.4334869440780.6892121753423.05707359623-0.6717130010070.3124704667810.676373415303-0.289714876907-0.13943917348-1.32378187541-0.00928353089637-0.2766824238210.148276156252-0.105373631245-0.1399631317081.99692596802-0.3854260900120.118394095161.24158998851-0.1901889343810.35564618799949.230430933679.305462324349.0447654064
492.19536720973-0.5057717547140.7364841522153.12217271408-0.4081894495570.24881994268-0.047955356569-0.2175147174850.535347950389-0.632968161112-0.566241219122-1.676170843550.1503467645210.04903487029350.3574561055781.56666731588-0.5758103195720.2508690719391.71204079790.1544684145371.7993267509374.018398462594.751319465758.626547266
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 2 through 140 )AA2 - 1401 - 139
22chain 'A' and (resid 141 through 448 )AA141 - 448140 - 447
33chain 'A' and (resid 449 through 597 )AA449 - 597448 - 596
44chain 'B' and (resid 334 through 364 )BB334 - 3641 - 31
55chain 'B' and (resid 365 through 393 )BB365 - 39332 - 60
66chain 'B' and (resid 394 through 409 )BB394 - 40961 - 76
77chain 'B' and (resid 410 through 442 )BB410 - 44277 - 109
88chain 'B' and (resid 443 through 516 )BB443 - 516110 - 183
99chain 'B' and (resid 517 through 528 )BB517 - 528184 - 195
1010chain 'C' and (resid 2 through 112 )CD2 - 1121 - 111
1111chain 'C' and (resid 113 through 234 )CD113 - 234112 - 233
1212chain 'C' and (resid 235 through 313 )CD235 - 313234 - 312
1313chain 'C' and (resid 314 through 370 )CD314 - 370313 - 369
1414chain 'C' and (resid 371 through 495 )CD371 - 495370 - 494
1515chain 'C' and (resid 496 through 597 )CD496 - 597495 - 596
1616chain 'D' and (resid 334 through 393 )DE334 - 3931 - 60
1717chain 'D' and (resid 394 through 506 )DE394 - 50661 - 173
1818chain 'D' and (resid 507 through 528 )DE507 - 528174 - 195
1919chain 'E' and (resid 2 through 65 )EG2 - 651 - 64
2020chain 'E' and (resid 66 through 112 )EG66 - 11265 - 111
2121chain 'E' and (resid 113 through 176 )EG113 - 176112 - 175
2222chain 'E' and (resid 177 through 234 )EG177 - 234176 - 233
2323chain 'E' and (resid 235 through 495 )EG235 - 495234 - 494
2424chain 'E' and (resid 496 through 597 )EG496 - 597495 - 596
2525chain 'F' and (resid 334 through 353 )FH334 - 3531 - 20
2626chain 'F' and (resid 354 through 393 )FH354 - 39321 - 60
2727chain 'F' and (resid 394 through 416 )FH394 - 41661 - 83
2828chain 'F' and (resid 417 through 430 )FH417 - 43084 - 97
2929chain 'F' and (resid 431 through 459 )FH431 - 45998 - 126
3030chain 'F' and (resid 460 through 479 )FH460 - 479127 - 146
3131chain 'F' and (resid 480 through 494 )FH480 - 494147 - 161
3232chain 'F' and (resid 495 through 516 )FH495 - 516162 - 183
3333chain 'F' and (resid 517 through 528 )FH517 - 528184 - 195
3434chain 'G' and (resid 2 through 35 )GJ2 - 351 - 34
3535chain 'G' and (resid 36 through 112 )GJ36 - 11235 - 111
3636chain 'G' and (resid 113 through 177 )GJ113 - 177112 - 176
3737chain 'G' and (resid 178 through 234 )GJ178 - 234177 - 233
3838chain 'G' and (resid 235 through 300 )GJ235 - 300234 - 299
3939chain 'G' and (resid 301 through 370 )GJ301 - 370300 - 369
4040chain 'G' and (resid 371 through 414 )GJ371 - 414370 - 413
4141chain 'G' and (resid 415 through 495 )GJ415 - 495414 - 494
4242chain 'G' and (resid 496 through 557 )GJ496 - 557495 - 556
4343chain 'G' and (resid 558 through 597 )GJ558 - 597557 - 596
4444chain 'H' and (resid 334 through 358 )HK334 - 3581 - 25
4545chain 'H' and (resid 359 through 393 )HK359 - 39326 - 60
4646chain 'H' and (resid 394 through 469 )HK394 - 46961 - 136
4747chain 'H' and (resid 470 through 494 )HK470 - 494137 - 161
4848chain 'H' and (resid 495 through 516 )HK495 - 516162 - 183
4949chain 'H' and (resid 517 through 528 )HK517 - 528184 - 195

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