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- PDB-7k1o: Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in th... -

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Basic information

Entry
Database: PDB / ID: 7k1o
TitleCrystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate
ComponentsUridylate-specific endoribonuclease
KeywordsVIRAL PROTEIN / SARS Corona virus 2 / endoribonuclease / COVID-19 / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID
Function / homology
Function and homology information


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 ...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 / 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 / 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
Chem-VQV / Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsKim, Y. / Maltseva, N. / Jedrzejczak, R. / Endres, M. / Welk, L. / Chang, C. / Michalska, K. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: To Be Published
Title: Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate
Authors: Kim, Y. / Maltseva, N. / Jedrzejczak, R. / Endres, M. / Welk, L. / Chang, C. / Michalska, K. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)
History
DepositionSep 8, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 23, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 18, 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: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
C: Uridylate-specific endoribonuclease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,3709
Polymers124,9723
Non-polymers1,3996
Water84747
1
A: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
C: Uridylate-specific endoribonuclease
hetero molecules

A: Uridylate-specific endoribonuclease
B: Uridylate-specific endoribonuclease
C: Uridylate-specific endoribonuclease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)252,74118
Polymers249,9436
Non-polymers2,79712
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_654-x+1,y,-z-1/21
Buried area19630 Å2
ΔGint-98 kcal/mol
Surface area84480 Å2
MethodPISA
Unit cell
Length a, b, c (Å)87.460, 151.321, 197.518
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2

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Components

#1: Protein Uridylate-specific endoribonuclease / NSP15 endoribnuclease


Mass: 41657.238 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold
References: UniProt: P0DTD1, Hydrolases; Acting on ester bonds
#2: Chemical ChemComp-VQV / 1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione


Mass: 404.161 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C9H14N2O12P2 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


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


Mass: 18.015 Da / Num. of mol.: 47 / 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: 2.61 Å3/Da / Density % sol: 52.96 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 4.6
Details: 8 % w/v Polyethylene glycol 4,000, 100 mM Sodium acetate; pH 4.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Jun 25, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.4→49.68 Å / Num. obs: 49708 / % possible obs: 96.8 % / Redundancy: 7 % / Biso Wilson estimate: 60.63 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.144 / Net I/σ(I): 15
Reflection shellResolution: 2.4→2.44 Å / Redundancy: 4.1 % / Rmerge(I) obs: 1.497 / Mean I/σ(I) obs: 0.76 / Num. unique obs: 2066 / CC1/2: 0.463 / % possible all: 81.1

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDBID 6VWW

6vww


Resolution: 2.4→49.68 Å / SU ML: 0.3736 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 28.7132
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2425 2485 5.05 %
Rwork0.2068 46765 -
obs0.2086 49250 95.61 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 74.94 Å2
Refinement stepCycle: LAST / Resolution: 2.4→49.68 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8221 0 87 47 8355
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00318511
X-RAY DIFFRACTIONf_angle_d0.594711555
X-RAY DIFFRACTIONf_chiral_restr0.04591322
X-RAY DIFFRACTIONf_plane_restr0.00321472
X-RAY DIFFRACTIONf_dihedral_angle_d20.37973120
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.450.34861250.34041918X-RAY DIFFRACTION72.24
2.45-2.50.38381260.33132215X-RAY DIFFRACTION82.26
2.5-2.550.34241040.32212315X-RAY DIFFRACTION86.67
2.55-2.610.35471360.3152426X-RAY DIFFRACTION90.31
2.61-2.680.32591340.31562528X-RAY DIFFRACTION93.73
2.68-2.750.33321890.29742560X-RAY DIFFRACTION97.03
2.75-2.830.32781210.29062715X-RAY DIFFRACTION99.58
2.83-2.920.29191300.26362724X-RAY DIFFRACTION99.86
2.92-3.020.32961340.27492675X-RAY DIFFRACTION99.89
3.02-3.150.3171740.26742665X-RAY DIFFRACTION99.89
3.15-3.290.29591020.25132750X-RAY DIFFRACTION99.96
3.29-3.460.27931510.24152716X-RAY DIFFRACTION99.97
3.46-3.680.27071370.21982707X-RAY DIFFRACTION99.82
3.68-3.960.23541280.2062743X-RAY DIFFRACTION100
3.96-4.360.26121440.17652746X-RAY DIFFRACTION99.83
4.36-4.990.2031240.15022737X-RAY DIFFRACTION100
4.99-6.290.18661530.17212784X-RAY DIFFRACTION99.83
6.29-49.680.17791730.16022841X-RAY DIFFRACTION99.28
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)
12.933619181010.37795138558-0.3901857646053.716679297260.3269279636882.869181985630.118737478178-0.1078422895390.3984718534310.3947813806710.1105427146330.124527874197-0.201449158535-0.686845531065-0.2497529267920.4341209219680.03712185498990.01024542552130.5654946784920.08372875912640.56805010102427.55507707747.7873404955-43.8656195359
22.309487263540.900357081731-0.9839549846231.00381668034-0.1766231064991.94204016545-0.1650090150070.6598279875030.209705203488-0.1960755310010.2923698431010.1904163400540.387435449604-1.09697843621-0.1407207314160.455315669252-0.206293413468-0.02121102079450.9695696163070.08608031346650.5743711388511.830060301629.8992179623-37.8305180347
31.8436600441-0.4450491397942.973830743271.19456536478-0.1891920304034.91427109248-0.7861920654440.7600340664510.198496783387-0.1415953577170.6500318001440.3414075328350.01201979576-0.1373055772330.1233408445130.634233061533-0.3475430717370.06373545554450.9894320328550.01660211853570.7066768805214.727401809520.5715293573-26.7046977027
43.90995211952-0.6245382626360.6758407316451.72925003624-0.4229242073241.57613457082-0.00283272535037-0.263469531609-0.3344269583040.1246270519660.1178201720680.2609922877940.883551295456-0.289928475846-0.1080097003520.911801752125-0.1362793541560.01564209619540.4882709489140.05099922700060.47180751896828.26212307413.7916674496-16.6321155029
52.11840954079-0.2241154462810.395996393610.9582291378160.534444169393.8173636879-0.1228954533890.00815434733861-0.0120597703470.08783694850010.1676258122850.0362634894430.718495299987-0.137383668519-0.05561460909190.604925156147-0.129239772896-0.01053236619270.3776332191230.01613750460930.44798688349240.157986289721.2834040908-61.8759134062
62.37009004307-0.01663654395660.1477916922220.1051445492480.3790516077771.39899238093-0.0167889090478-0.138736684599-0.189970915560.1674742675420.02567108120690.1600455543571.05073689945-0.453388658338-0.08074805489451.0015942625-0.455974766181-0.001312941995280.735270253120.02376338811650.63425971748423.290580476214.8087884312-71.4857666969
71.525335390990.2354339862310.3469607022072.6538795090.628500372311.803578970770.06664186980140.1499154730450.050484212203-0.2588923373290.00492673938595-0.0354034270286-0.060955253319-0.591166827366-0.1041306777190.462257870327-0.0958291943671-0.04147620778380.7533596552550.09991206237390.53883587002428.50175463241.0401546232-88.8585352469
81.09184459597-1.063928635230.1613603801713.45107516932-0.2219451623811.613054925010.2481679735660.2450822153980.230781882710.4932734943690.3079227960981.1200489955-0.161625770962-1.07186747604-0.3943023152560.655355364698-0.03569924753470.02622752615241.304830219220.2650532519660.84025533295513.69841581442.4845747649-86.1090739807
93.05939136605-0.6750200628410.2005289798562.921040071061.835041400534.502039600070.00403756779153-0.0303047009247-0.1341926357410.3898613664480.224048168975-0.2738525090280.04890649118791.13703508571-0.1653347393270.4254232651180.01327165983750.004868189973080.656038456437-0.06802584875530.59447504675260.314582258145.848035463-38.1592892932
102.93691794157-0.381212635232-0.5893281273772.07927882524-0.05143333746752.95822353075-0.1050107644690.1221935244650.4008423512580.1938030191820.273258268224-0.04089949925170.2763212192260.0254301844426-0.1677572147050.520396489934-0.02131352331-0.001395458525450.456347598915-0.09785061121760.61377029081651.42901207746.9075034678-39.1694611246
111.01999923021-0.533969979457-0.08060848068130.696462100323-0.7150204787091.928656910250.144631306408-0.05597454471450.423901534887-0.439411338859-0.01019214124140.0625526535172-0.7507401497070.31922101487-0.1086839993560.840414314094-0.09919169121130.1118676581280.412752962028-0.07369753063480.72071605702648.298467872464.5276271408-35.4106507026
121.1240957862-0.1071385873890.4368804227751.103095250210.8214272328880.8045590763840.210646393275-0.102230394250.6314144230390.3881738407840.101558073413-0.130410535764-0.9278660362590.60212759626-0.1971805448361.03102960212-0.06161987688610.1342212267120.376017973353-0.127925917280.85171050200847.796627671476.5626472038-26.4434015679
130.603023966803-0.286128730131-0.09467545237191.18314478433-0.1326198766360.939236687650.210291440728-0.2595941254490.275509067310.3319715979140.1996095343110.560856750768-0.4534864155980.311685082141-0.432534534340.844763155233-0.08709647068630.1002123277990.473003831858-0.05989579662150.78587729891545.922605206665.8816070727-21.058648133
142.479143802822.45932655067-0.8331432762872.52098660914-1.395568612152.542739033070.210396233719-0.146892230360.302400648414-0.84301864157-0.367515283109-0.483494152567-0.323161700876-0.2300820017250.02774213322410.8329433230350.1345566657240.1953769603680.577339409666-0.06807307180420.77583772006535.596846555867.9754060475-22.3073764389
151.70494772871-0.3775729062050.1007574348071.79419979328-0.2606371707491.570163257490.4144377911-1.24658579050.7293134575910.605623045226-0.2229100410730.393213726541-0.323293081935-0.851571988115-0.2428555268520.9014845941330.02045391099520.1980032503231.02877666629-0.1927839029760.87984390040821.150259335358.5756910066-6.9021365628
162.807361874891.30237703137-0.1875811569221.859244970010.1972727470761.378172035340.523305997768-0.3893085426520.0610947258774-0.209360464541-0.381925669290.0362581723952-0.286154270144-0.737910526456-0.1966415737510.7338676645890.1016352426810.1642670673960.6932383776150.02042152908870.72823082629520.483561409948.7525425926-17.8764256634
172.320281984970.0929958368364-0.2083029243222.376563736441.220720100141.67736938713-0.0827981668827-0.4557523852490.477896124482-0.07204236742140.05897738157270.178650906028-0.366363144395-0.3841721438830.01822831546390.6893506308690.1076300923830.09695750320280.652150869887-0.0537541775080.72000621221124.020392807855.7433337413-22.6800124707
181.096238946070.423666227463-0.2422171835911.92909100892-0.4935080117321.399507433530.177432034265-0.3020619771581.27168979290.1487699445040.2813271995581.16508525042-0.47839471064-0.750965734945-0.5097721911110.8941071274050.3137190872080.154239987510.8259264527310.02042245457251.2614612083316.704488552867.5977762429-23.4075663363
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 60 )AA1 - 601 - 60
22chain 'A' and (resid 61 through 183 )AA61 - 18361 - 183
33chain 'A' and (resid 184 through 203 )AA184 - 203184 - 203
44chain 'A' and (resid 204 through 346 )AA204 - 346204 - 346
55chain 'B' and (resid 0 through 95 )BD0 - 951 - 96
66chain 'B' and (resid 96 through 187 )BD96 - 18797 - 188
77chain 'B' and (resid 188 through 309 )BD188 - 309189 - 310
88chain 'B' and (resid 310 through 346 )BD310 - 346311 - 347
99chain 'C' and (resid 0 through 38 )CG0 - 381 - 43
1010chain 'C' and (resid 39 through 60 )CG39 - 6044 - 65
1111chain 'C' and (resid 61 through 130 )CG61 - 13066 - 135
1212chain 'C' and (resid 131 through 160 )CG131 - 160136 - 165
1313chain 'C' and (resid 161 through 183 )CG161 - 183166 - 188
1414chain 'C' and (resid 184 through 203 )CG184 - 203189 - 208
1515chain 'C' and (resid 204 through 236 )CG204 - 236209 - 241
1616chain 'C' and (resid 237 through 267 )CG237 - 267242 - 272
1717chain 'C' and (resid 268 through 309 )CG268 - 309273 - 314
1818chain 'C' and (resid 310 through 346 )CG310 - 346315 - 351

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