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- PDB-7rqg: Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2 -

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Basic information

Entry
Database: PDB / ID: 7rqg
TitleCrystal structure of the Nsp3 Y3 domain from SARS-CoV-2
ComponentsNon-structural protein 3
KeywordsVIRAL PROTEIN / SARS-CoV-2 / COVID-19 / non-structural protein 3 / nsp3 / Y3 domain / unknown function / structural genomics / CSGID / center for structural genomics of infectious diseases / NIAID / national institute of allergy and infectious diseases
Function / homology
Function and homology information


protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / TRAF3-dependent IRF activation pathway / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs ...protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Assembly of the SARS-CoV-2 Replication-Transcription Complex (RTC) / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of TBK1 activity / Maturation of replicase proteins / TRAF3-dependent IRF activation pathway / ISG15-specific peptidase activity / Transcription of SARS-CoV-2 sgRNAs / snRNP Assembly / Translation of Replicase and Assembly of the Replication Transcription Complex / 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 endoplasmic reticulum-Golgi intermediate compartment / host cell endosome / 3'-5'-RNA exonuclease activity / symbiont-mediated degradation of host mRNA / 5'-3' DNA helicase activity / mRNA guanylyltransferase / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / mRNA guanylyltransferase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / DNA helicase / omega peptidase activity / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / symbiont-mediated suppression of host NF-kappaB cascade / SARS-CoV-2 modulates host translation machinery / symbiont-mediated perturbation of host ubiquitin-like protein modification / host cell Golgi apparatus / methyltransferase cap1 activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / ubiquitinyl hydrolase 1 / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / lyase activity / cysteine-type deubiquitinase activity / single-stranded RNA binding / viral protein processing / host cell perinuclear region of cytoplasm / host cell endoplasmic reticulum membrane / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated suppression of host gene expression / copper ion binding / viral translational frameshifting / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / lipid binding / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / ATP hydrolysis activity / DNA-templated transcription / proteolysis / RNA binding / zinc ion binding / ATP binding
Similarity search - Function
RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : ...RNA-dependent RNA polymerase, SARS-CoV-like / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / NSP12 RNA-dependent RNA polymerase, coronavirus / : / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Coronavirus Nsp12 Interface domain profile. / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / Nidovirus 2-O-methyltransferase / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / 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 / Nonstructural protein 13, 1B domain, coronavirus / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 3'-5' exoribonuclease (ExoN) 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 / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / : / Lipocalin signature. / DNA2/NAM7 helicase-like, C-terminal / AAA domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / 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 / Coronavirus Nsp6 transmembrane protein profile. / Coronavirus Nsp4 ectodomain (4Ecto) profile. / Betacoronavirus single-stranded poly(A) binding domain / 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 / NSP1, C-terminal domain, betacoronavirus / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / : / Betacoronavirus Nsp3e group 2-specific marker (G2M) 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, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Non-structural protein NSP3, nucleic acid-binding domain superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Papain-like viral protease, palm and finger domains, coronavirus / Papain-like protease, N-terminal domain superfamily, coronavirus / Carbamoyl-phosphate synthase subdomain signature 2. / Coronavirus replicase NSP2, N-terminal / : / Coronavirus (CoV) Nsp2 middle domain profile. / NSP1, globular domain, alpha/betacoronavirus / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / Nonstructural protein 2, N-terminal domain, coronavirus / Non-structural protein 2, C-terminal domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / Peptidase family C16 domain profile. / : / : / Coronavirus Nsp3 ectodomain (3Ecto) profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile.
Similarity search - Domain/homology
Replicase polyprotein 1ab
Similarity search - Component
Biological speciesSevere acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.17 Å
AuthorsStogios, P.J. / Skarina, T. / Chang, C. / Di Leo, R. / Savchenko, A. / Joachimiak, A. / Satchell, K.J.F. / 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)HHSN272201700060C United States
CitationJournal: Microbiol Spectr / Year: 2025
Title: Structural and functional analyses of SARS-CoV-2 Nsp3 and its specific interactions with the 5' UTR of the viral genome.
Authors: Lemak, S. / Skarina, T. / Patel, D.T. / Stogios, P.J. / Savchenko, A.
History
DepositionAug 6, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 18, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature
Revision 1.3Jul 29, 2026Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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

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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
C: Non-structural protein 3
D: Non-structural protein 3


Theoretical massNumber of molelcules
Total (without water)45,9374
Polymers45,9374
Non-polymers00
Water4,540252
1
A: Non-structural protein 3


Theoretical massNumber of molelcules
Total (without water)11,4841
Polymers11,4841
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Non-structural protein 3


Theoretical massNumber of molelcules
Total (without water)11,4841
Polymers11,4841
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Non-structural protein 3


Theoretical massNumber of molelcules
Total (without water)11,4841
Polymers11,4841
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Non-structural protein 3


Theoretical massNumber of molelcules
Total (without water)11,4841
Polymers11,4841
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)41.590, 49.141, 54.630
Angle α, β, γ (deg.)80.217, 89.649, 77.938
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

#1: Protein
Non-structural protein 3 / nsp3 / PL2-PRO / Papain-like protease / Papain-like proteinase / PL-PRO


Mass: 11484.261 Da / Num. of mol.: 4 / Fragment: Y3 domain
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, ubiquitinyl hydrolase 1, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 252 / Source method: isolated from a natural source / Formula: H2O
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: 2.36 Å3/Da / Density % sol: 47.9 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 1.1 sodium citrate, M, 0.1 M Hepes pH 7.5; Cryoprotectant paratone

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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 6M / Detector: PIXEL / Date: Jul 29, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.17→30 Å / Num. obs: 19504 / % possible obs: 90.5 % / Redundancy: 2.9 % / Biso Wilson estimate: 37.12 Å2 / CC1/2: 0.987 / Rmerge(I) obs: 0.104 / Rpim(I) all: 0.073 / Net I/σ(I): 15.26
Reflection shellResolution: 2.18→2.22 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.661 / Mean I/σ(I) obs: 1.64 / Num. unique obs: 960 / CC1/2: 0.536 / Rpim(I) all: 0.487 / % possible all: 89.2

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
HKL-3000data reduction
HKL-3000data scaling
PHENIXphasing
PHENIXmodel building
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Alphafold2 model

Resolution: 2.17→28.05 Å / SU ML: 0.2648 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 28.8747
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2417 975 5 %
Rwork0.1968 18516 -
obs0.1991 19491 89.04 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 51.37 Å2
Refinement stepCycle: LAST / Resolution: 2.17→28.05 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2990 0 0 252 3242
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00223031
X-RAY DIFFRACTIONf_angle_d0.45274091
X-RAY DIFFRACTIONf_chiral_restr0.0407490
X-RAY DIFFRACTIONf_plane_restr0.0036518
X-RAY DIFFRACTIONf_dihedral_angle_d18.12211143
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.17-2.290.30551270.25452431X-RAY DIFFRACTION81.26
2.29-2.430.29771440.23862735X-RAY DIFFRACTION92.22
2.43-2.620.27491430.22812707X-RAY DIFFRACTION91.61
2.62-2.880.29051340.2192551X-RAY DIFFRACTION85.89
2.88-3.30.27411470.20422791X-RAY DIFFRACTION94.11
3.3-4.160.19451380.17572627X-RAY DIFFRACTION87.56
4.16-28.050.221420.17752674X-RAY DIFFRACTION90.81
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)
16.2062896533-1.49250984092-3.392144536829.69813120991-4.60140942435.010328629250.2020598238260.266188971053-0.500159783884-0.8034820245760.3629258940592.00178657761.19860296727-1.48968661342-0.08117576641470.497039072714-0.017783948909-0.1168015261860.493831140021-0.0213736706650.635785713556-14.72813255855.905438622112.72855154301
26.4218145347-1.8607606582-3.585190371495.278021750876.593560932498.595837543630.32581724573-1.04216371671-0.8333813803421.017013462050.825420640780.470256381207-0.106861653582-1.07045912675-0.6636667858080.4938832455070.1057203759550.003090832180980.503642136460.1928196668380.352639505256-2.879492867015.482211527719.67632213619
38.409633779893.9678758211-5.34609176849.45433881016-5.971799098094.99778384093-0.6231793181610.751749427176-0.353210535395-0.9332704581560.12042738456-0.2259986866451.103126819840.7907209848730.4976439395220.3849958690210.0736293466661-0.03334180809840.374186258994-0.06168543572590.3274825738683.356409036670.482683428655-7.08274326612
43.868101153193.722926443710.9273536936578.50405234211-3.139600408643.62017539223-0.427286410529-0.4152404804780.617781263441-0.3726575089070.4932018803410.104038371875-1.12985082644-0.512611339768-0.05990703585430.295184134998-0.00393436234172-0.02555379760490.317351491451-0.02808182165470.2340816701196.2468677860511.625292613-5.23928662325
54.741187653860.23673934194-2.146927984318.28263670489-0.9545904744568.57201366642-0.132899950599-0.206032158706-0.8349152718720.4570560196890.2050570176820.811798685790.9358597866640.506735765383-0.04625244708660.236499777980.0446431736620.004739731961940.2711642974760.03718284919790.5649420244860.616380897887-4.694709934913.77588449418
68.78196595942.57137427682-5.460471977886.926488047321.082695829249.271156051530.4801050171710.1601411159490.823486407264-0.8514381566680.45014845370.148022087554-1.208977507990.506622354052-0.6406458215150.138176294910.00798028416905-0.08980521853530.2940912737040.002327371932590.241254927673-3.4035061435610.10858583080.764292984536
72.154960890585.91106153178-1.607024637474.519822781-0.9378448889469.099311007950.4130580736920.786622886667-0.141586856907-2.21954374835-0.4846266916010.6826075461080.2210620983560.0212353916253-0.008821407988390.4878324374990.0861959929566-0.105991569940.424544828427-0.1111113583870.448232613208-6.460210569123.15486450031-7.49105044412
86.14691333116-0.3815113625541.266356908148.542760042526.43298007148.300402294330.0133209430741-0.2650769195430.03712264071120.231691408061-0.02683477650360.6090758648440.5081131154110.2920256208190.004218222636380.302898470193-0.0486625172254-0.02028024494670.2683862771270.08306304039630.271207166804-6.005377012753.67691122315.54833799598
91.998535681143.08342775168-4.400866316191.358588927110.424162694947.17679935363-3.80888164732-1.28120516067-2.844031142583.651744371982.451188921380.688420226212.497550813443.11776087370.6459071645791.18332931140.5175515061140.05744442428181.270499223160.2017669357920.7167128377772.91763141086-1.9108588863212.3791170847
104.2096928755.27029891419-2.573024819587.17488670013-2.178470344293.69460804696-0.6182473474670.194971944162-1.10524831972-0.0727929930783-0.446494186152-2.279822130890.5362435039661.573396749131.111878237520.4938426428690.1808777887770.05220040495480.5110626190360.07010906957230.45595891453410.98630494750.782273483563-0.428124770878
117.812728125433.26855370034-2.12018005766.56446362099-5.481413613088.67601979411-1.301663737131.73988335808-0.984694174907-3.30968715197-0.484946883567-1.494088897621.66492511238-0.05005122389650.7940850248910.7902348899470.1526558434070.2018458386860.4972552138720.1940417342550.377715555780.91521656457322.611333647512.5411135782
125.77576375143-3.051502362353.991626569985.91978762870.6316743566756.25764351757-0.2806807009820.9021201202350.0666361823959-0.01882704580610.324200984854-0.0773477938218-0.2917350270140.2830550683310.0294425162760.33424787583-0.02036064025330.0602839376580.2651964700490.08045185217140.2056215744527.6345208398115.555543193723.4278935007
134.899164303754.986859590111.10068488545.372942626391.969064003592.623995748140.1654630798820.667940600624-1.069550778290.107397053750.350290426333-2.05543816635-0.2313662219551.24132641237-0.5123898276150.477396891141-0.0103868695545-0.005215382429840.660473754065-0.06427171581480.61200915555415.685617096921.684565259933.7545403196
146.469828998334.053199008536.351727295452.54455123364.110329327129.15654976084-0.5115960014580.1434473892430.532779682953-0.04204906625940.604380571370.437671509327-1.60393325911-0.17053524048-0.1378233228730.5616554030260.009280169910090.09445390890840.543046194558-0.02520758016950.300136895036.3271431726321.944826036435.5105560474
153.07841993288-2.30449264098-2.162199847288.280536493291.408867750955.013210435680.000210504528919-0.125686790539-1.10439085339-0.314887254208-0.124257166722-0.2989471449550.5937437092340.1454491276590.1305684984220.370103349050.019020542018-0.05300838816350.309522612999-0.05030434187010.33887439363810.173042766210.041781496520.9006475014
162.401687149612.233835926311.852877231285.183540295492.984806105292.457920721750.0896217052362-0.741896531184-0.0006574227854120.2591279157550.008705835393440.177509212276-0.300339599406-0.07707224393960.03791082365770.3470470003830.05875586260920.04948842258670.2795143120770.00262914823410.2534809977131.537177773922.608024709625.2484968848
175.40393483912-2.3318398775-5.42819236013.444834891622.928800896745.569292831190.0101407893159-0.4572353165360.4539429147560.1207741774540.1684445246640.322483481862-1.092383399940.68605053879-0.2270867688830.415759768213-0.0795875269212-0.02630389862240.3886845469230.01587261980890.39279819326311.698991912725.441053656521.7580830801
182.265449610010.319909293199-0.7744255665472.750553011920.1862495153560.643642805039-0.3302095974690.26277438033-0.613634514579-0.2152211485850.21473678664-0.1045705635070.08547901674360.108150165850.1184144395640.3600814311050.0002771560923380.05550637980060.267002345014-0.0074309244010.2096793259846.8453364139818.225038663115.6098846627
196.53169800707-0.3479945897655.666005162477.03611286239-4.658092613048.490327472030.227010092301-1.822852606541.410566617541.33374130160.0931147570703-0.00517898572557-1.16575804984-0.255021077587-0.6205422975120.382735201541-0.02331913695640.2394483137540.4759402726760.04862100661840.735978510369-6.0991343461815.406506456824.2206575188
206.602711781261.76254532351-3.341918764012.5524073884-2.648101544494.41059960789-0.06259403844240.379145519519-3.60213061142-0.97674598662-0.1655850415011.908945258830.922474534091-0.5655431852870.005666902587270.611574270494-0.1084847452840.09878268820580.514120209006-0.1517217483740.9041202433932.995410474735.0776605120724.3873006373
216.441460582864.84042580413.055419732453.591303059412.308338214532.26940250872-0.0803849631917-0.442988374126-1.018684612371.324221246050.727875982722-0.3880043643562.064709629811.18832516203-0.7651423618090.5038500862440.104714093710.0044859310270.37571008618-0.02333317070980.42573570294510.512212741310.547093587632.9646362728
226.67071177522-0.762692425132.714059120977.13786269831.504219244268.66401654838-0.948592609177-0.02667807419951.138332662510.3972357709950.331689366235-1.65444096289-0.3302777929831.132693335510.3862246065060.3606520202-0.0274253202931-0.08178556726510.4013403597860.05898173714340.616992801486-12.137806461321.48832562035.8404370727
238.783203243582.956499026033.130720417335.001197772892.23385892344.37230999475-0.5506694497721.15145518675-0.291748319747-1.283969344480.36491452457-0.6099465877850.126722092860.4131665797080.1321684396420.440351299073-0.006894841720620.04145997404430.357856051022-0.02233908152320.355767508736-24.578349194218.925531975-7.67261158505
248.4298409817-5.04952675297-1.431414132763.88441801301-1.54990863296.79546655760.0137653155537-0.165810443280.977551167332-0.2358360276190.1645408034920.409836499185-0.883600036104-0.470240343136-0.1743179603250.3639635369180.0232657214395-0.05437629091580.282832100629-0.009304744313270.285761623834-22.318859531430.30091608970.990622270414
251.29913753175-1.592889592360.8246284300665.94155515604-0.6995045559436.0190409169-0.1364818902310.470589255456-0.333091602099-0.2128080203120.296939639089-0.1792564566310.472504670007-0.215915393369-0.2135436458720.178039783462-0.02475009051780.02379312496690.305218622566-0.0002932375564460.380336380663-16.897190432315.44603468210.186023938875
264.411739988572.830846588791.342472589583.89056881587-1.761553450736.11559700616-0.2489259937261.57248467078-0.941222514177-1.539305105690.0679709330709-1.845446825750.338546398320.9249580419810.1616834965780.535677013106-0.08313806389470.1664839469610.574647833522-0.04956001496530.440539786574-13.997646034321.5721639846-8.61039102277
277.55769122891.03205278568-0.280853902414.62981965293-3.181163720176.78820047539-0.165870640963-0.01768123938190.4451012180710.6706893124780.240685225093-0.511279630013-0.846349751591-0.511311682238-0.09516348110670.354057389570.01177697890850.002881054215350.256808037624-0.06656514023640.302426125776-17.329076860624.31605459695.80238407343
287.481651698826.085049844194.24458121289.302584289485.6457784283.548582697040.2831044925960.345065568457-0.185417904099-0.847457130476-0.4724058713330.609377797667-0.03513953465-0.9475436353890.3084961361530.6286371474650.130166323998-0.1455873098060.382305002206-0.04959587212630.41879406383-31.198707867124.2198603552-3.71162118681
296.85193777901-0.112855447316-1.116356994218.19542684492-1.898378920095.84251305513-0.0588271489717-0.38205707886-0.464368286280.4174399387620.07993919357360.02712024459310.3197660489510.2078199585050.03517786768210.2967429645090.00914338693598-0.0271841012480.439667004805-0.01174512814370.446476013871-8.466896511641.488070909417.9146744947
307.11421268412-0.459736012782.589600156020.9941045489522.392645152438.53042017071.765719487-0.239573263821-0.846840010323-2.983810447480.15135425776-0.14640968512.855669878250.720027996285-1.474932616211.88692301757-0.0688483714251-0.07971059184530.6213949361010.05675927073150.783524949769-7.4878222173144.26585188267.84662634701
318.361463268272.22183708788-2.431318628659.77906045997-4.819193770952.85271078067-0.2480531316430.2980035221320.3589768080741.29753466540.6224905757020.201872304543-0.60623527096-0.252471778584-0.3058995454980.5808797996990.134359113406-0.05470784941830.386266254555-0.01622220232340.480598140096-12.362037420346.953221568819.5685280517
328.01433410597-1.19217516059-0.9133699255994.10180661067-0.2551559931195.03872524611-0.551980538783-0.9089996604020.5712978505650.7764877123390.109592178611-1.8165541839-0.5597138293130.896035487080.2477333241930.7471403221560.0235737781451-0.2712456439640.4615976999650.03852794660850.724942175087-2.106783123937.083153522120.7415435812
335.54116382346-4.365207246252.780970434364.25362414876-2.499532589961.57603560666-1.31697905855-0.5541529347790.2003891625490.3270626128460.5090303002921.05969188478-1.4105600412-1.155057645280.9546067409750.7384115433760.0810770181445-0.2451078380180.378482860634-0.03936157747490.80351205325-12.263283405830.507768371412.4801278934
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1842 through 1848 )AA1842 - 18481 - 7
22chain 'A' and (resid 1849 through 1854 )AA1849 - 18548 - 13
33chain 'A' and (resid 1855 through 1866 )AA1855 - 186614 - 25
44chain 'A' and (resid 1867 through 1875 )AA1867 - 187526 - 34
55chain 'A' and (resid 1876 through 1892 )AA1876 - 189235 - 51
66chain 'A' and (resid 1893 through 1904 )AA1893 - 190452 - 63
77chain 'A' and (resid 1905 through 1917 )AA1905 - 191764 - 76
88chain 'A' and (resid 1918 through 1930 )AA1918 - 193077 - 89
99chain 'A' and (resid 1931 through 1935 )AA1931 - 193590 - 94
1010chain 'A' and (resid 1936 through 1943 )AA1936 - 194395 - 102
1111chain 'B' and (resid 1844 through 1848 )BB1844 - 18481 - 5
1212chain 'B' and (resid 1849 through 1861 )BB1849 - 18616 - 18
1313chain 'B' and (resid 1862 through 1866 )BB1862 - 186619 - 23
1414chain 'B' and (resid 1867 through 1875 )BB1867 - 187524 - 32
1515chain 'B' and (resid 1876 through 1892 )BB1876 - 189233 - 49
1616chain 'B' and (resid 1893 through 1904 )BB1893 - 190450 - 61
1717chain 'B' and (resid 1905 through 1917 )BB1905 - 191762 - 74
1818chain 'B' and (resid 1918 through 1925 )BB1918 - 192575 - 82
1919chain 'B' and (resid 1926 through 1930 )BB1926 - 193083 - 87
2020chain 'B' and (resid 1931 through 1935 )BB1931 - 193588 - 92
2121chain 'B' and (resid 1936 through 1943 )BB1936 - 194393 - 100
2222chain 'C' and (resid 1844 through 1854 )CC1844 - 18541 - 11
2323chain 'C' and (resid 1855 through 1875 )CC1855 - 187512 - 32
2424chain 'C' and (resid 1876 through 1892 )CC1876 - 189233 - 49
2525chain 'C' and (resid 1893 through 1904 )CC1893 - 190450 - 61
2626chain 'C' and (resid 1905 through 1917 )CC1905 - 191762 - 74
2727chain 'C' and (resid 1918 through 1935 )CC1918 - 193575 - 92
2828chain 'C' and (resid 1936 through 1943 )CC1936 - 194393 - 100
2929chain 'D' and (resid 1844 through 1864 )DD1844 - 18641 - 21
3030chain 'D' and (resid 1865 through 1878 )DD1865 - 187822 - 27
3131chain 'D' and (resid 1879 through 1892 )DD1879 - 189228 - 41
3232chain 'D' and (resid 1893 through 1925 )DD1893 - 192542 - 74
3333chain 'D' and (resid 1926 through 1931 )DD1926 - 193175 - 80

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