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- PDB-7cz4: Structure of SARS-CoV-2 macro domain in complex with ADP-ribose -

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Basic information

Entry
Database: PDB / ID: 7cz4
TitleStructure of SARS-CoV-2 macro domain in complex with ADP-ribose
ComponentsNon-structural protein 3
KeywordsVIRAL PROTEIN / COVID-19 / SARS-CoV-2 / NSP3 / macro domain
Function / homology
Function and homology information


viral genome replication / methyltransferase activity / protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins ...viral genome replication / methyltransferase activity / protein guanylyltransferase activity / RNA endonuclease activity, producing 3'-phosphomonoesters / mRNA guanylyltransferase activity / 5'-3' RNA helicase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs / Translation of Replicase and Assembly of the Replication Transcription Complex / snRNP Assembly / TRAF3-dependent IRF activation pathway / methylation / Replication of the SARS-CoV-2 genome / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / : / double membrane vesicle viral factory outer membrane / SARS coronavirus main proteinase / host cell endosome / 3'-5'-RNA exonuclease activity / host cell endoplasmic reticulum-Golgi intermediate compartment / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / SARS-CoV-2 modulates host translation machinery / omega peptidase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated perturbation of host ubiquitin-like protein modification / mRNA (nucleoside-2'-O-)-methyltransferase activity / endonuclease activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / DNA helicase / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell endoplasmic reticulum membrane / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / RNA helicase / induction by virus of host autophagy / RNA-directed RNA polymerase / copper ion binding / symbiont-mediated suppression of host gene expression / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / lipid binding / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / ATP hydrolysis activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane
Similarity search - Function
RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / NSP12 RNA-dependent RNA polymerase, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus 2-O-methyltransferase / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Nonstructural protein 13, 1B domain, coronavirus / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / Non-structural protein NSP15, N-terminal domain superfamily, coronavirus / Non-structural protein NSP15, middle domain superfamily / Coronavirus replicase NSP15, N-terminal oligomerization / Nonstructural protein 15, middle domain, coronavirus / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Non-structural protein NSP16, coronavirus-like / Non-structural protein 14, coronavirus / RNA polymerase, N-terminal, coronavirus / Coronavirus 2'-O-methyltransferase / Coronavirus proofreading exoribonuclease / Coronavirus RNA-dependent RNA polymerase, N-terminal / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / Lipocalin signature. / Non-structural protein NSP3, SUD-N (Mac2) domain, betacoronavirus / Sarbecovirus Nsp3c-N domain profile. / Non-structural protein NSP3, N-terminal, betacoronavirus / Polyprotein cleavage domain PL2pro superfamily, betacoronavirus / Non-structural protein NSP3, SUD-N (Mac2) domain superfamily, betacoronavirus / Betacoronavirus SUD-C domain / Betacoronavirus replicase NSP3, N-terminal / NSP1 globular domain superfamily, betacoronavirus / Non-structural protein 2, SARS-CoV-like / Carbamoyl-phosphate synthase subdomain signature 2. / Coronavirus 3Ecto domain profile. / : / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / NSP1, C-terminal domain, betacoronavirus / Betacoronavirus Nsp3c-M domain profile. / NSP1, globular domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain, betacoronavirus / Non-structural protein NSP3, SUD-M domain superfamily, betacoronavirus / Betacoronavirus replicase NSP1 / Betacoronavirus single-stranded poly(A) binding domain / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / Betacoronavirus Nsp3c-C domain profile. / Betacoronavirus Nsp3e nucleic acid-binding (NAB) domain profile. / DPUP/SUD, C-terminal, betacoronavirus / Non-structural protein NSP3, nucleic acid-binding domain superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Papain-like protease, N-terminal domain superfamily, coronavirus / Papain-like viral protease, palm and finger domains, coronavirus / : / Coronavirus (CoV) Nsp2 middle domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / NSP1, globular domain, alpha/betacoronavirus / : / Coronavirus (CoV) Nsp3 Y domain profile. / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus replicase NSP2, N-terminal / Nonstructural protein 2, N-terminal domain, coronavirus / Coronavirus replicase NSP2, C-terminal / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus
Similarity search - Domain/homology
ADENOSINE-5-DIPHOSPHORIBOSE / Replicase polyprotein 1a / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.64 Å
AuthorsLin, M.H. / Hsu, C.H.
Funding support Taiwan, 2items
OrganizationGrant numberCountry
Ministry of Science and Technology (MoST, Taiwan)108-2628-B-002-013 Taiwan
Ministry of Science and Technology (MoST, Taiwan)108-2113-M-002-011 Taiwan
CitationJournal: Acs Infect Dis. / Year: 2020
Title: Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain.
Authors: Lin, M.H. / Chang, S.C. / Chiu, Y.C. / Jiang, B.C. / Wu, T.H. / Hsu, C.H.
History
DepositionSep 7, 2020Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 11, 2020Provider: repository / Type: Initial release
Revision 1.1Dec 2, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2Mar 10, 2021Group: Structure summary / Category: entity / entity_name_com
Item: _entity.pdbx_description / _entity.pdbx_ec / _entity_name_com.name
Revision 1.3Nov 29, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Non-structural protein 3
B: Non-structural protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,8204
Polymers37,7012
Non-polymers1,1192
Water1,09961
1
A: Non-structural protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,4102
Polymers18,8511
Non-polymers5591
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area990 Å2
ΔGint-11 kcal/mol
Surface area7660 Å2
MethodPISA
2
B: Non-structural protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)19,4102
Polymers18,8511
Non-polymers5591
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area950 Å2
ΔGint-10 kcal/mol
Surface area7400 Å2
MethodPISA
Unit cell
Length a, b, c (Å)84.736, 84.736, 143.242
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212
Space group name HallP4abw2nw
Symmetry operation#1: x,y,z
#2: -y+1/2,x+1/2,z+1/4
#3: y+1/2,-x+1/2,z+3/4
#4: x+1/2,-y+1/2,-z+3/4
#5: -x+1/2,y+1/2,-z+1/4
#6: -x,-y,z+1/2
#7: y,x,-z
#8: -y,-x,-z+1/2
Components on special symmetry positions
IDModelComponents
11A-306-

HOH

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Components

#1: Protein Non-structural protein 3 / pp1a / ORF1a polyprotein / nsp3 / PL2-PRO / Papain-like protease / Papain-like proteinase / PL-PRO ...pp1a / ORF1a polyprotein / nsp3 / PL2-PRO / Papain-like protease / Papain-like proteinase / PL-PRO / Macro domain from non-structural protein 3


Mass: 18850.531 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Production host: Escherichia coli (E. coli)
References: UniProt: P0DTC1, UniProt: P0DTD1*PLUS, ubiquitinyl hydrolase 1
#2: Chemical ChemComp-APR / ADENOSINE-5-DIPHOSPHORIBOSE


Mass: 559.316 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H23N5O14P2 / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 61 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 3.55 Å3/Da / Density % sol: 65.37 %
Crystal growTemperature: 283 K / Method: vapor diffusion, sitting drop
Details: 37.5% precipitant mix (stock: 2.5% MPD, 25% PEG1000, 25% PEG3350), 0.1M pH 8.5 buffer mix (1M Tris, 1M Bicine) and 0.1M carboxylic acids mix (0.2M sodium formate, 0.2M ammonium acetate, 0.2M ...Details: 37.5% precipitant mix (stock: 2.5% MPD, 25% PEG1000, 25% PEG3350), 0.1M pH 8.5 buffer mix (1M Tris, 1M Bicine) and 0.1M carboxylic acids mix (0.2M sodium formate, 0.2M ammonium acetate, 0.2M sodium citrate, 0.2M sodium potassium, 0.2M sodium oxamate)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSRRC / Beamline: TPS 05A / Wavelength: 0.99984 Å
DetectorType: RAYONIX MX300-HS / Detector: CCD / Date: Aug 2, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.99984 Å / Relative weight: 1
ReflectionResolution: 2.64→29.68 Å / Num. obs: 15963 / % possible obs: 100 % / Redundancy: 13.3 % / Biso Wilson estimate: 37.69 Å2 / CC1/2: 0.9872 / Rmerge(I) obs: 0.107 / Net I/σ(I): 37.91
Reflection shellResolution: 2.64→2.74 Å / Redundancy: 11.2 % / Rmerge(I) obs: 0.535 / Num. unique obs: 1559 / CC1/2: 0.949

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7C33

7c33


Resolution: 2.64→29.68 Å / SU ML: 0.2887 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.1911
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.215 1442 10 %RANDOM
Rwork0.171 12974 --
obs0.1754 14416 90.63 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 41.23 Å2
Refinement stepCycle: LAST / Resolution: 2.64→29.68 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2541 0 72 61 2674
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01652663
X-RAY DIFFRACTIONf_angle_d1.28163631
X-RAY DIFFRACTIONf_chiral_restr0.0556430
X-RAY DIFFRACTIONf_plane_restr0.0059456
X-RAY DIFFRACTIONf_dihedral_angle_d19.9254928
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.64-2.740.3015750.2333679X-RAY DIFFRACTION48.49
2.74-2.850.2661010.2406909X-RAY DIFFRACTION65.71
2.85-2.980.27211420.21311270X-RAY DIFFRACTION91.1
2.98-3.130.2621550.21951400X-RAY DIFFRACTION99.36
3.13-3.330.27331570.20921418X-RAY DIFFRACTION99.94
3.33-3.590.2441570.18071409X-RAY DIFFRACTION100
3.59-3.950.19931590.15681427X-RAY DIFFRACTION100
3.95-4.510.2071600.13571445X-RAY DIFFRACTION99.94
4.52-5.680.16291630.14381459X-RAY DIFFRACTION100
5.68-29.680.17441730.15351558X-RAY DIFFRACTION99.54
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)
12.123006556580.5381197051581.184081166272.98383559665-0.3802952701961.01403230367-0.121850311487-0.473394035180.2011710048730.3749006767840.547284980459-0.0126854047227-0.1127938562360.0437385917503-0.113069894610.2462557688510.02820134974880.03371086060430.544403487152-0.1718520777920.30085777327749.213384193618.9401076492-1.40480562257
21.997221951351.007204035390.2153460403761.544478692480.3043311187570.174789873768-0.0572917547753-0.861224621780.3874294103760.4029590513510.28637637022-0.352368784198-0.07154643137680.457502210516-0.01943984671240.2437269588740.0430170546315-0.06282612290160.786692877706-0.1727867355150.3945694717658.583464719617.18858463430.0219248749084
33.921764642670.3683726031210.258253109951.501364326590.813229843422.00152930307-0.3456633975030.4533300327630.347568092489-0.04745024729970.3194755936280.310727962431-0.3217317248010.1712409548930.09887138625910.144440600318-0.0370030988915-0.07748075003890.2979925079080.1022210092750.40142271948420.890903118515.7695867425-10.9897530013
41.00541973901-0.249323979134-0.838947828551.420659973590.7387540070612.89667687806-0.04481242916070.749950071012-0.0424435508331-0.426762279967-0.1008441259770.5082367716690.0203042561629-0.5211708937548.02025619258E-50.233879360798-0.0321577077585-0.05912704826950.35482631277-0.06491651809240.33262933173617.9382285167.05642536975-14.9545702252
52.048812608260.342991413487-0.9416930144742.53615230741-0.5555266711230.5669418617170.03007348254991.16538105106-0.638150345604-0.4150273689890.3158562353060.2698933094170.9296094906290.1134431789640.4552955562910.5439749668930.0722632632841-0.0242398076040.320337427685-0.2178000723510.28720005842330.2872605708-5.27703760378-19.4679214891
61.415468929870.0918466788861-0.08450728693250.8854790138260.003587320450841.367466273030.07534779662510.393424244727-0.35165971934-0.00905705991764-0.06964321612270.05378228317540.4328717450320.2701586008790.0816718056050.2709682176620.04436251000320.03136441587440.240735436344-0.02891779309930.20185737789234.77267920920.571724096017-10.8888706134
71.01504156314-0.548501455611-0.1321330811010.927909066892-1.191323204223.44581973450.109452514774-0.008935262694880.05094057385980.373203585998-0.1148214987230.3521498838660.1319872872370.1323524337190.09281091671380.308975918304-0.0299403763262-0.02182714032570.1411177146390.01660018369530.20473800020727.93441996223.08333924199-8.03258255328
81.218612819360.0988879979612-0.3865641571131.11995813445-0.6831114941821.598855212650.06343639924090.0604560612032-0.1673763105840.0924988957104-0.0180070815980.1188816015050.122655918380.0360906372297-0.006245804000190.163609149780.00798868682702-0.005968317438260.1315397029590.02362536950150.19992352409426.54084271238.73374030328-4.57006551472
92.71288381546-0.4883657038150.3288686639613.996029231730.06679584224093.96875469576-0.199765840692-0.1617873500910.1783044358090.293827953880.0137589355276-0.13769571030.172599530774-0.210432299826-0.01739109908790.310162085741-0.03480367769590.05700030804460.2015461218630.06597073867260.37957867815217.74833980929.73098077482.37758948764
102.459622862110.230196870711.800242632770.7959985900270.420989810441.86757371528-0.154442360685-0.206626295119-0.1906200215170.1728172838460.0695216422156-0.1412905308060.03852732818870.0789099185301-0.1680006208770.1476806637660.212703277988-0.2253544612291.193614772460.03269166993550.22361152634458.85085386027.653003792672.97085660604
110.4365951542450.178981964343-0.4715585841180.372725968313-0.04827924379540.504145296778-0.084101740698-0.470099234077-0.05006803371480.317435365471-0.0598663835897-0.523518814676-0.1771147713060.534217291504-0.1703965592910.1887306700460.128462746008-0.03188080221350.810461642724-0.09798424007370.41496491698664.52368548559.43043534377-5.19097736454
121.074687390970.1998134388581.171925209941.75238727138-0.9775313853242.59226971602-0.203398658518-0.0264583009675-0.0500952300265-0.2306500728320.316960942441-0.1919461997090.287268668380.5807799998920.1788486115170.1686099119510.07254754659620.04958612602790.3422300166530.01475812188220.19867764828655.527729855110.3045858606-17.9235895176
130.1402269808890.1433074879320.424768803890.174201417520.3448462069681.410304242720.05239575812250.04893038223170.0332639548758-0.2091697971550.0119558340533-0.5775178253250.05314758153110.431995141465-0.09694172223370.1834671402720.04737454728310.04720175142450.539945796722-0.09798951447170.41041714982563.959964263310.3817808894-20.4545353112
144.369323017590.5224886449050.8762079940830.05428609127780.1197469664320.273066813891-0.245956301546-0.0611239445447-0.256339796923-0.2268623679270.271256302214-0.2723669805980.4303167755210.207380159062-0.07525290937430.2961296518920.004207313493420.03350982384330.343188074004-0.06332326902690.2170086450753.08872740565.79117921726-26.9704502283
150.1638573204850.2562027631950.03936801992580.8529554578860.02697058896040.0324689880263-0.0466145943455-0.307834779247-0.0941269230233-0.1382612953940.17937689103-0.1846380153740.3427479627490.475786558036-0.00646239851570.2271033092480.1315726345490.02474472074830.382167345362-0.04067048892760.20802932613452.22663249896.06069310586-18.493261362
161.532001832550.503774875132-0.4445150601571.92479569558-0.3246754348971.536842934680.0281258975005-0.2823336895180.198920049578-0.1521436157030.1059891277550.0180105928746-0.004896535171330.290419129251-0.1086188686660.1797253683770.05974975461940.01909036594710.240251511643-0.0359841647910.23667411554147.012236471715.3625062435-12.3123054231
171.703981977040.424005934778-0.2982903029564.03912368976-0.6174888932331.858778998630.141879785489-0.8712973221670.01333958947430.3169445055390.1846043890640.123162101219-0.1941071028060.717084457445-0.1472520439070.1743725220830.0106697428441-0.01030264451220.474700773451-0.03731940863380.20702622493353.675200984214.6812883621-9.02043056383
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'B' and (resid 136 through 146 )
2X-RAY DIFFRACTION2chain 'B' and (resid 147 through 169 )
3X-RAY DIFFRACTION3chain 'A' and (resid 4 through 15 )
4X-RAY DIFFRACTION4chain 'A' and (resid 16 through 30 )
5X-RAY DIFFRACTION5chain 'A' and (resid 31 through 72 )
6X-RAY DIFFRACTION6chain 'A' and (resid 73 through 118 )
7X-RAY DIFFRACTION7chain 'A' and (resid 119 through 135 )
8X-RAY DIFFRACTION8chain 'A' and (resid 136 through 157 )
9X-RAY DIFFRACTION9chain 'A' and (resid 158 through 173 )
10X-RAY DIFFRACTION10chain 'B' and (resid 4 through 15 )
11X-RAY DIFFRACTION11chain 'B' and (resid 16 through 30 )
12X-RAY DIFFRACTION12chain 'B' and (resid 31 through 47 )
13X-RAY DIFFRACTION13chain 'B' and (resid 48 through 59 )
14X-RAY DIFFRACTION14chain 'B' and (resid 60 through 72 )
15X-RAY DIFFRACTION15chain 'B' and (resid 73 through 90 )
16X-RAY DIFFRACTION16chain 'B' and (resid 91 through 118 )
17X-RAY DIFFRACTION17chain 'B' and (resid 119 through 135 )

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