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- PDB-7t9w: Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marke... -

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Basic information

Entry
Database: PDB / ID: 7t9w
TitleCrystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2
ComponentsPapain-like protease nsp3
KeywordsVIRAL PROTEIN / SARS-COV-2 / COVID-19 / NON-STRUCTURAL PROTEIN 3 / NSP3 / BSM domain / Betacoronavirus-Specific Marker / G2M / group 2 marker / 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 / mRNA guanylyltransferase activity / 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 / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway ...protein guanylyltransferase activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism / mRNA guanylyltransferase activity / 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 / ISG15-specific peptidase activity / TRAF3-dependent IRF activation pathway / 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 / host cell endoplasmic reticulum-Golgi intermediate compartment / double membrane vesicle viral factory outer membrane / single-stranded 3'-5' DNA helicase activity / double-stranded DNA helicase activity / SARS coronavirus main proteinase / forked DNA-dependent helicase activity / 3'-5'-RNA exonuclease activity / 5'-3' DNA helicase activity / host cell endosome / symbiont-mediated degradation of host mRNA / four-way junction helicase activity / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / symbiont-mediated suppression of host toll-like receptor signaling pathway / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / omega peptidase activity / mRNA (guanine-N7)-methyltransferase / SARS-CoV-2 modulates host translation machinery / methyltransferase cap1 / host cell Golgi apparatus / symbiont-mediated suppression of host NF-kappaB cascade / symbiont-mediated perturbation of host ubiquitin-like protein modification / DNA helicase / methyltransferase cap1 activity / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / single-stranded RNA binding / host cell perinuclear region of cytoplasm / regulation of autophagy / viral protein processing / lyase activity / 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 / DNA-templated transcription / lipid binding / 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 / 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 / Carbamoyl-phosphate synthase subdomain signature 2. / 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 / 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 / Coronavirus replicase NSP2, N-terminal / : / Coronavirus replicase NSP2, C-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 replicase NSP7 / Coronavirus 3Ecto domain 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 / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsStogios, P.J. / Skarina, T. / 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: To Be Published
Title: Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2
Authors: Stogios, P.J.
History
DepositionDec 20, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 29, 2021Provider: repository / Type: Initial release
Revision 1.1Feb 28, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 1.2Apr 3, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Papain-like protease nsp3
B: Papain-like protease nsp3
C: Papain-like protease nsp3
D: Papain-like protease nsp3
E: Papain-like protease nsp3
F: Papain-like protease nsp3
G: Papain-like protease nsp3
H: Papain-like protease nsp3
I: Papain-like protease nsp3
J: Papain-like protease nsp3
K: Papain-like protease nsp3
L: Papain-like protease nsp3
M: Papain-like protease nsp3
N: Papain-like protease nsp3
O: Papain-like protease nsp3
P: Papain-like protease nsp3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)182,41119
Polymers182,19116
Non-polymers2203
Water17,511972
1
A: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Papain-like protease nsp3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)11,4222
Polymers11,3871
Non-polymers351
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Papain-like protease nsp3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)11,4792
Polymers11,3871
Non-polymers921
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
5
E: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
6
F: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
7
G: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
8
H: Papain-like protease nsp3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)11,4792
Polymers11,3871
Non-polymers921
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
9
I: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
10
J: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
11
K: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
12
L: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
13
M: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
14
N: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
15
O: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
16
P: Papain-like protease nsp3


Theoretical massNumber of molelcules
Total (without water)11,3871
Polymers11,3871
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)157.462, 157.462, 79.619
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number78
Space group name H-MP43
Space group name HallP4cw
Symmetry operation#1: x,y,z
#2: -y,x,z+3/4
#3: y,-x,z+1/4
#4: -x,-y,z+1/2

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Components

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


Mass: 11386.963 Da / Num. of mol.: 16 / Fragment: BSM (Betacoronavirus-Specific Marker) 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: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#3: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 972 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.71 Å3/Da / Density % sol: 54.59 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 40% tacsimate, 0.5 M MES pH 6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å
DetectorType: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Dec 9, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2.2→30 Å / Num. obs: 98708 / % possible obs: 100 % / Redundancy: 7.5 % / Biso Wilson estimate: 34.28 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.104 / Rpim(I) all: 0.04 / Net I/σ(I): 17.4
Reflection shellResolution: 2.2→2.24 Å / Redundancy: 6.1 % / Rmerge(I) obs: 0.893 / Mean I/σ(I) obs: 1.23 / Num. unique obs: 4940 / CC1/2: 0.658 / Rpim(I) all: 0.389 / % possible all: 99.9

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Processing

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

Resolution: 2.2→29.42 Å / SU ML: 0.4037 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 35.8544
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.3162 1875 1.99 %RANDOM
Rwork0.2616 92581 --
obs0.2627 94456 95.45 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 56.07 Å2
Refinement stepCycle: LAST / Resolution: 2.2→29.42 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10874 0 13 972 11859
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002611050
X-RAY DIFFRACTIONf_angle_d0.535415056
X-RAY DIFFRACTIONf_chiral_restr0.04231900
X-RAY DIFFRACTIONf_plane_restr0.00551881
X-RAY DIFFRACTIONf_dihedral_angle_d16.44054036
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.260.40231240.37636442X-RAY DIFFRACTION86.37
2.26-2.330.40551260.36546721X-RAY DIFFRACTION90.53
2.33-2.40.37271380.3516867X-RAY DIFFRACTION93.03
2.4-2.490.3351450.3327068X-RAY DIFFRACTION94.61
2.49-2.590.37431480.33837064X-RAY DIFFRACTION95.96
2.59-2.70.40141480.31987217X-RAY DIFFRACTION96.93
2.7-2.850.34131500.30657270X-RAY DIFFRACTION97.72
2.85-3.030.40771560.29017287X-RAY DIFFRACTION98.19
3.03-3.260.32271480.27057370X-RAY DIFFRACTION98.8
3.26-3.590.29951500.23377399X-RAY DIFFRACTION99.03
3.59-4.10.26991410.20687412X-RAY DIFFRACTION99.06
4.1-5.170.24451550.1927388X-RAY DIFFRACTION98.33
5.17-29.420.28241460.25117076X-RAY DIFFRACTION92.36
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)
14.728624173782.06970058199-0.310245742033.997433003971.638269057365.940790785640.1000475613050.293186501307-0.0724104466025-1.45880422166-1.04918515045-1.2939579664-0.7414553425440.6833439995260.9346792711620.7310485012860.03736449032280.1469363105650.6564563048030.3409396297911.02032395165-1.76732362104-59.9069429343-6.54201553619
26.88094280311-1.196918891674.822060544571.91350489833-1.332060920773.782063561260.759070501477-1.05545984997-0.511683762884-0.0324752369945-0.310589957391-0.3009888821021.40981614343-1.59695197861-0.4001335478340.677937720968-0.02735141779540.08636763873070.6040133019780.140301403670.5307920270933.92655640655-65.68263195240.487647589551
34.71454638853-1.644934766591.713481801863.33734268245-1.775778158785.10174417445-0.08186863236170.8469321375650.370205687682-0.339738579247-0.630540337995-0.6668996262640.08415566921620.50131990190.6586221154450.4747385801640.01155401887880.1437597818850.6123902330880.1766432313370.58463123199613.5273677582-61.48331268894.15598202845
43.97656031152-1.003774630522.35934736170.6978009256350.3075749044623.31656204272-0.4874735317850.5184547969860.112812336165-0.10920593084-0.382816573577-0.5194657197550.1397141427521.644515882230.6902294571810.5116638516070.08078484265550.2235922729150.9608268374920.3388370096110.82972844895217.3688658889-61.99090224581.49563854441
51.930203479731.896490687172.94697198975.563651256280.675055095776.112713091150.4629999449560.2113868591680.0119806123945-0.328827461063-0.423509270252-1.119925832660.1160139484060.2042934609380.05152597521310.5757193046050.2161927057910.1832821600490.4488704933710.06808368116290.4374131476820.03014195131.7670881723112.8817449008
63.45718705269-0.545508451352-2.182186632254.08440022107-2.882335371145.00594747985-0.03309332109650.220832806143-0.475470145622-0.808245708151-0.429987622069-0.3992130480060.547927425711-0.1634899615120.4191879139350.5420369149340.07163643961320.08693405688260.356924425902-0.08691440877550.39566344198417.2023130316-13.896472973523.797992893
72.27873899165-0.8298501951230.8198601829837.688829876027.239783549728.201388097920.1577778899530.849155562403-0.370783783161-0.7892769275171.262997858531.04595954294-1.10577807293-0.140565730237-1.093062574440.401506199444-0.03294087880620.05225023855440.9827732277120.27036314470.70017573048558.0608375548-39.36003790137.79352235538
83.63628651822.650816956120.1661908830332.55521087368-1.722350433345.34120881480.342512043636-0.7946492914810.891541952192-1.27433557485-0.590090293648-0.1616460812080.0995357763679-0.5623593056450.2349380906750.7773469619580.003388034678810.1664513221820.7960587805790.1014227446470.65209874140953.2410213495-35.00973917418.0544891767
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564.48926798605-1.841590041321.299902382154.759422145542.224645163837.27772264485-0.07778385808070.280307959928-0.200923466782-0.7016079017230.0968875589364-0.189360522810.9040162140120.5313555647010.02825893701980.622800105660.04877226822630.2716805307490.3955583452610.1672779448610.77530607334325.4359488787-24.105602550339.4317203169
576.78127761535-2.503454551153.768793824792.116304713471.347490275588.1824048349-0.510695828228-0.644373393344-0.1423505470270.882377029756-0.0851227518470.378659535561-0.367035248738-0.416254423004-0.2507143728550.9083122411110.195984324031-0.5839439713320.006793056021010.6810121114170.6249317901180.925102270133-59.714494202338.9929763737
586.78390364003-1.06946536045-3.717371019430.2321751422280.5735848150434.97006014860.2845145071790.7921289449650.1514375101370.389674819962-0.2903223363980.0631254389999-0.385573878838-0.7938809953690.01141095331870.544367348455-0.0171160280673-0.05191212829590.3600977614410.1657778810670.5057624985421.19972573508-56.328601475729.9699477228
590.665385571835-0.577427439529-0.2526673115774.6179462281-0.4158232614474.449277255620.2905616927940.345833705257-0.1643361710940.376003349796-0.56540398895-1.15609342433-0.5026887874810.02493805804080.1950058411460.437187301964-0.076393362696-0.1095374018330.4645273022910.209584025480.48558796217913.8146786432-54.661673469622.4037779211
606.386554113390.92767880837-2.741721326462.04524700190.07544640136618.60891146651-0.24571486888-0.563608645391-0.4369107522910.458655239228-0.76406641518-0.5669031095050.4639271424520.8971819486010.822461868790.398151161232-0.0708369280995-0.07281249862570.3818561831730.2043495611440.47742052760113.1733474315-63.539963705227.8078925788
618.31616706535-0.3715426889155.067093961295.17658373922-0.4225650634533.268866245410.6070315720021.66118024655-0.0973108035170.244443427317-1.01155813214-2.30961182811-0.4901657764841.131287693460.6924541763430.576921659755-0.131042742124-0.1130978365940.6551046959290.6396241965970.98415087909423.9120725457-54.920754645118.2864953227
625.374129905491.39235317939-1.134741519486.67339345098-0.3497113663873.96010377638-0.137993734929-0.323913234848-0.1154228494730.240347824599-0.10204688355-0.5434794183320.1777638672191.484368100650.1760558839190.4965954342040.3111392175270.1927416466131.156917579850.4329481432460.80583497746740.7327008212-19.819490558939.2802385292
635.834957799360.413042483584-2.873972894410.824988565035-0.3364518233525.30024562309-0.959554740407-0.2557161424620.1926762923540.2803243117940.9604447706970.9689170856640.322254365557-0.0943357909374-0.127124030270.5108509572610.1648155438850.1231360142580.8181104557070.3202954201880.73203272695541.0032294768-16.395238438330.2655525377
641.50498914556-1.26615681796-2.031414737223.51710518533-0.6089036111883.96925745585-0.564634615271-1.10238838991-0.3509032263030.3265985916840.378643874618-0.0471244057520.1285520302170.2253993649920.1681168884330.3433102449570.133272277238-0.02357874289640.9027461033990.1752003435350.52815965542455.9026042949-17.422575741423.6129276106
651.63108145845-0.5611442270750.8934092414434.51326303105-1.506149800154.499005169220.002788918119550.138150051836-0.1362704439230.814709385893-0.36217125828-0.357057638141-0.4532126482960.5165955072180.287962822380.617150373285-0.166958637038-0.1449396716610.5391733761570.3027911995580.69254348418416.6074957891-39.251456569712.0520393674
661.97972264521.378321502480.2471501191121.01897054173-1.054748714763.794528765630.191602791381-0.626459520949-0.3827875938230.761354709392-0.414313596021-0.283130749432-0.191570688490.1726077086080.09954995914880.516928678418-0.0814102704085-0.0007857809635950.4996342491170.2085134497340.3402431238816.674694506-23.67393502874.88849856889
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1241 through 1261 )AA1241 - 12611 - 21
22chain 'A' and (resid 1262 through 1273 )AA1262 - 127322 - 33
33chain 'A' and (resid 1274 through 1303 )AA1274 - 130334 - 63
44chain 'A' and (resid 1304 through 1328 )AA1304 - 132864 - 88
55chain 'B' and (resid 1238 through 1261 )BB1238 - 12611 - 24
66chain 'B' and (resid 1262 through 1329 )BB1262 - 132925 - 92
77chain 'C' and (resid 1240 through 1246 )CC1240 - 12461 - 7
88chain 'C' and (resid 1247 through 1251 )CC1247 - 12518 - 12
99chain 'C' and (resid 1252 through 1261 )CC1252 - 126113 - 22
1010chain 'C' and (resid 1262 through 1273 )CC1262 - 127323 - 34
1111chain 'C' and (resid 1274 through 1293 )CC1274 - 129335 - 54
1212chain 'C' and (resid 1294 through 1316 )CC1294 - 131655 - 77
1313chain 'C' and (resid 1317 through 1329 )CC1317 - 132978 - 90
1414chain 'D' and (resid 1240 through 1251 )DD1240 - 12511 - 12
1515chain 'D' and (resid 1252 through 1273 )DD1252 - 127313 - 34
1616chain 'D' and (resid 1274 through 1293 )DD1274 - 129335 - 54
1717chain 'D' and (resid 1294 through 1328 )DD1294 - 132855 - 89
1818chain 'E' and (resid 1240 through 1246 )EF1240 - 12461 - 7
1919chain 'E' and (resid 1247 through 1261 )EF1247 - 12618 - 22
2020chain 'E' and (resid 1262 through 1273 )EF1262 - 127323 - 34
2121chain 'E' and (resid 1274 through 1328 )EF1274 - 132835 - 89
2222chain 'F' and (resid 1241 through 1259 )FG1241 - 12591 - 19
2323chain 'F' and (resid 1260 through 1303 )FG1260 - 130320 - 63
2424chain 'F' and (resid 1304 through 1316 )FG1304 - 131664 - 76
2525chain 'F' and (resid 1317 through 1328 )FG1317 - 132877 - 88
2626chain 'G' and (resid 1240 through 1246 )GH1240 - 12461 - 7
2727chain 'G' and (resid 1247 through 1273 )GH1247 - 12738 - 34
2828chain 'G' and (resid 1274 through 1316 )GH1274 - 131635 - 77
2929chain 'G' and (resid 1317 through 1329 )GH1317 - 132978 - 90
3030chain 'H' and (resid 1239 through 1246 )HI1239 - 12461 - 8
3131chain 'H' and (resid 1247 through 1273 )HI1247 - 12739 - 35
3232chain 'H' and (resid 1274 through 1316 )HI1274 - 131636 - 78
3333chain 'H' and (resid 1317 through 1329 )HI1317 - 132979 - 91
3434chain 'I' and (resid 1241 through 1261 )IK1241 - 12611 - 21
3535chain 'I' and (resid 1262 through 1273 )IK1262 - 127322 - 33
3636chain 'I' and (resid 1274 through 1316 )IK1274 - 131634 - 76
3737chain 'I' and (resid 1317 through 1328 )IK1317 - 132877 - 88
3838chain 'J' and (resid 1240 through 1251 )JL1240 - 12511 - 12
3939chain 'J' and (resid 1252 through 1273 )JL1252 - 127313 - 34
4040chain 'J' and (resid 1274 through 1282 )JL1274 - 128235 - 43
4141chain 'J' and (resid 1283 through 1293 )JL1283 - 129344 - 54
4242chain 'J' and (resid 1294 through 1328 )JL1294 - 132855 - 89
4343chain 'K' and (resid 1240 through 1273 )KM1240 - 12731 - 34
4444chain 'K' and (resid 1274 through 1328 )KM1274 - 132835 - 89
4545chain 'L' and (resid 1241 through 1251 )LN1241 - 12511 - 11
4646chain 'L' and (resid 1252 through 1261 )LN1252 - 126112 - 21
4747chain 'L' and (resid 1262 through 1273 )LN1262 - 127322 - 33
4848chain 'L' and (resid 1274 through 1303 )LN1274 - 130334 - 63
4949chain 'L' and (resid 1304 through 1316 )LN1304 - 131664 - 76
5050chain 'L' and (resid 1317 through 1328 )LN1317 - 132877 - 88
5151chain 'M' and (resid 1239 through 1246 )MO1239 - 12461 - 8
5252chain 'M' and (resid 1247 through 1261 )MO1247 - 12619 - 23
5353chain 'M' and (resid 1262 through 1273 )MO1262 - 127324 - 35
5454chain 'M' and (resid 1274 through 1283 )MO1274 - 128336 - 45
5555chain 'M' and (resid 1284 through 1316 )MO1284 - 131646 - 78
5656chain 'M' and (resid 1317 through 1328 )MO1317 - 132879 - 90
5757chain 'N' and (resid 1240 through 1246 )NP1240 - 12461 - 7
5858chain 'N' and (resid 1247 through 1273 )NP1247 - 12738 - 34
5959chain 'N' and (resid 1274 through 1293 )NP1274 - 129335 - 54
6060chain 'N' and (resid 1294 through 1316 )NP1294 - 131655 - 77
6161chain 'N' and (resid 1317 through 1329 )NP1317 - 132978 - 90
6262chain 'O' and (resid 1240 through 1246 )OQ1240 - 12461 - 7
6363chain 'O' and (resid 1247 through 1273 )OQ1247 - 12738 - 34
6464chain 'O' and (resid 1274 through 1329 )OQ1274 - 132935 - 90
6565chain 'P' and (resid 1241 through 1273 )PR1241 - 12731 - 33
6666chain 'P' and (resid 1274 through 1329 )PR1274 - 132934 - 89

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