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- PDB-7kag: Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 f... -

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Basic information

Entry
Database: PDB / ID: 7kag
TitleCrystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
ComponentsNon-structural protein 3
KeywordsVIRAL PROTEIN / SARS-COV-2 / NON-STRUCTURAL PROTEIN / NSP3 / UBIQUITIN-LIKE DOMAIN / STRUCTURAL GENOMICS / CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES / CSGID / NATIONAL INSTITUTE OF ALLERGY AND INFECTIOUS DISEASES / NIAID
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: 3.21 Å
AuthorsStogios, P.J. / Skarina, T. / Chang, C. / Kim, Y. / 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
DepositionSep 30, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 14, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 27, 2021Group: Structure summary / Category: entity / entity_name_com / Item: _entity.pdbx_ec / _entity_name_com.name
Revision 2.0Jan 26, 2022Group: Database references / Polymer sequence / Category: database_2 / entity_poly / pdbx_database_related
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_poly.pdbx_target_identifier
Revision 2.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.2Jul 29, 2026Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details
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 / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

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


Theoretical massNumber of molelcules
Total (without water)25,83916
Polymers24,9362
Non-polymers90314
Water39622
1
B: Non-structural protein 3
hetero molecules

A: Non-structural protein 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)25,83916
Polymers24,9362
Non-polymers90314
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_655-x+1,y,-z1
Buried area3150 Å2
ΔGint2 kcal/mol
Surface area14100 Å2
MethodPISA
Unit cell
Length a, b, c (Å)81.830, 147.570, 70.137
Angle α, β, γ (deg.)90.000, 125.896, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Components on special symmetry positions
IDModelComponents
11B-303-

HOH

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Components

#1: Protein Non-structural protein 3 / Nsp3 / PL2-PRO / Papain-like protease / Papain-like proteinase / PL-PRO


Mass: 12467.932 Da / Num. of mol.: 2 / Fragment: ubiquitin-like domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: rep, 1a-1b / Plasmid: pMCSG53YP_009725299 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold
References: UniProt: P0DTD1, EC: 3.4.19.121, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases
#2: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C2H6O2
#3: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 22 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationN

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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: 6.88 Å3/Da / Density % sol: 82.12 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 1.6 M ammonium sulfate, 0.1 M Hepes pH 7.5, 2% hexanediol

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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: Sep 24, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 3.13→50 Å / Num. obs: 10868 / % possible obs: 96 % / Redundancy: 3.3 % / Biso Wilson estimate: 40.88 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.053 / Rpim(I) all: 0.035 / Net I/σ(I): 17.53
Reflection shellResolution: 3.13→3.18 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.933 / Mean I/σ(I) obs: 1.04 / Num. unique obs: 459 / CC1/2: 0.612 / Rpim(I) all: 0.608 / % possible all: 83.5

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Processing

Software
NameVersionClassification
PHENIX1.15_3448refinement
HKL-3000data reduction
HKL-3000data scaling
PHENIXphasing
PHENIXmodel building
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2gri

2gri


Resolution: 3.21→35.78 Å / SU ML: 0.3831 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 23.2133
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2478 793 9.9 %RANDOM
Rwork0.2143 7215 --
obs0.2175 8008 72.53 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 53.8 Å2
Refinement stepCycle: LAST / Resolution: 3.21→35.78 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1750 0 57 22 1829
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00191831
X-RAY DIFFRACTIONf_angle_d0.51162468
X-RAY DIFFRACTIONf_chiral_restr0.0409282
X-RAY DIFFRACTIONf_plane_restr0.0036312
X-RAY DIFFRACTIONf_dihedral_angle_d16.7795653
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.21-3.410.425260.3261235X-RAY DIFFRACTION14.45
3.41-3.670.285810.2503769X-RAY DIFFRACTION46.05
3.67-4.040.26261590.23861423X-RAY DIFFRACTION86.17
4.04-4.630.24691760.19491600X-RAY DIFFRACTION96.57
4.63-5.820.21761750.19781594X-RAY DIFFRACTION96.04
5.82-35.780.23571760.20721594X-RAY DIFFRACTION94.96
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)
13.86025700136-0.568031592551-3.852864371222.6796024509-0.3208941694528.399625025630.0834359400263-1.55079623910.2223502966690.4308623709630.5887247686780.503715954043-0.2985269997860.701221397245-0.6288141109420.242705783790.06624135606650.1675433486570.509270074154-0.006217045616150.66750836356133.741395535172.49316707276.26464834
26.10827012646-5.37185073331-5.836057811444.801672052325.509438753317.40770011037-0.0883013540066-0.372901866003-4.069848978881.52517634978-1.790567183311.898445044041.78957737954-1.203392050921.861330044250.561125113367-0.1783396512120.1627863879810.895597368344-0.1138555630951.3714488593834.340005691461.835288995-0.918854321307
35.905227401954.24043398310.5680293028944.042834072.74468238585.522599657140.677163736178-0.1509439763820.9423782663831.24138787863-0.433348260360.509916611113-0.0936743110621-0.237504057172-0.3030283115870.417224901374-0.003545466681920.1589945474840.306130435780.1980492084880.48456818589237.851562428770.91116412194.99390215199
40.784470953352-0.928469987037-0.1060754076611.65078384185-0.6993015733991.24869437674-0.321250019718-0.0172897452031-0.0435938391444-0.1471758717370.0273000905348-0.145723032407-0.5717044086370.02754269750890.007438106761820.540874696822-0.0640080457108-0.06935783236640.150995557244-0.08422456558110.493374042748.916049634696.730421245112.5744726855
54.324933896352.644524153651.817098267925.592395414582.7611470973.90046355904-0.2037174737970.161609412446-0.304714697601-0.00362637332248-0.2514627369120.450716300159-0.00234655828893-0.1661126316860.2229434265940.297566325988-0.07350517914160.1380954823830.140263195202-0.03136711225980.53400630639649.722913978393.670907938315.0674936252
62.602579649950.6834352013234.279604738921.086356654251.315313710067.080440789990.546782072567-1.02916304246-0.33443806813-0.11034795252-0.4347190840140.7542013606630.672051580353-1.72830620237-0.1644410651660.280586020221-0.104088317514-0.05528833953140.488579619266-0.12351353110.85141763044141.853696178893.348147737119.4112272266
72.433996896282.845059298873.263833603752.000100043914.59099449684.46532187572-0.0481832256665-0.4309074428470.003270298269371.40964537430.04091083803860.5720586822740.406222977027-0.132216701714-0.009278576135870.4839953673760.150840524669-0.1307690194850.228446723565-0.1152443167290.48030348474255.040171476999.298025444630.5197455527
89.999258994852.74113079947.260963835337.760800278592.446796049535.30214805538-0.331562967787-1.247582205950.7201964227850.7835093743050.06608971951271.64095286382-1.02061051933-2.439187547760.1980259840250.4484047346550.230281084760.04054572374020.6318498921360.0216486438260.55385661225244.1899506916101.12570986927.6806912868
95.9151353943.50250087534-0.305272490064.040714420060.8100003832735.56799819055-0.7773719303230.843087369851-0.284882339746-1.24981869013-0.1249783249190.6860178844360.506656912454-1.154064612380.9046348900470.9315505959470.0525264984807-0.1747303054210.489832853896-0.3144363855940.74757131835142.4443993474101.6515610949.96726398924
108.706910589135.626184772691.48822995933.641063118070.7972508522675.195933923480.249147473673-0.0741656105043-1.01787907191-0.9234800933120.5580021361540.603413031220.96978183975-2.46897925939-0.7369276145380.8678832766320.0866063385189-0.5621486158170.992189507584-0.1491691353561.201687007938.1147683204101.5996154725.99231620676
114.06413210081.934496878782.558399734235.28238339835.119841204735.55272421916-0.2168076622990.3615216022650.115066691727-0.559237837871-0.07359303570370.528349213767-0.5828860271590.2260342740120.2490923303530.534173499380.0430131521856-0.220612172270.2203324511490.06876941383820.58151818646345.807469674697.60809863698.19450901713
125.7526372325-0.563561260124-0.7117905723967.15213555744-2.857093040561.321276910830.4668365184120.6224086343850.536038788659-2.30351959746-0.2698374159192.40290131888-1.03250836954-0.809519755639-0.1918703295071.202418678550.329762501425-0.407826348730.582611710023-0.2572849726311.3483389360341.8497037631108.81519454814.3033307191
134.369228892070.9467185364032.471881163843.227405424411.315974067474.51492651693-0.08836153048460.1007528157320.235029779091-0.209713629477-0.1597050868320.328469019149-0.41140010481-0.3044475728740.04618794338480.3243177269210.231066934941-0.1887590051620.6121907111640.1028733080060.62101589132434.451395164180.0934378943-2.23228912759
140.378056666227-0.41264845068-0.3232962438593.618529125250.706325767661.179341542810.2379420708890.4238355717570.0885249260027-0.185360642196-0.338847680991-0.1050420811340.1231867866670.1988152712290.2807785704730.2049683977650.08619305793450.1294673786620.333445344991-0.08378062210820.55659979758743.068842043463.9833854564-7.25734921128
152.97419625862-2.05666677102-2.395133178651.741939695171.990539765612.27887480324-0.223342598233-0.100085200152-0.4358554888120.273054814605-0.006593835306260.08830859269450.5745496258750.1035425776810.07504968829220.8211790533930.08878059433280.1196374291820.1362927605080.04166296136110.49002411291253.204784992241.9028630107-19.1289283155
160.08573391823680.4400691033380.2857792926022.30691081611.603930952422.58799709185-0.1755724332690.004162656065210.171889319907-0.0913907645257-0.4358538407760.563586397501-0.241587267109-0.4382981660330.1079436884180.275358246017-0.0274864051619-0.1533881502170.155644758429-0.08248960663730.59126403058146.468772187253.9895498317-16.8568827927
173.42566979713-3.17607994012-2.147062384029.471618921762.520932197485.43573176867-0.1849953191140.458187249970.053952485031-1.40218385996-0.3861301924150.3873147561540.0306617496127-0.7802640996640.4139154081890.559373356771-0.1437134182720.1172407119940.337422756498-0.1544555606480.43256737297355.869786869645.9809263062-31.1621298527
188.957887724232.28031900555-2.419201042084.03977430872-1.464586686610.861776383247-0.5295438021991.26102673134-0.170176132093-0.5571693976690.1257935084840.9526610356631.10203503293-1.414250934530.3013788775030.610978760705-0.30253686466-0.07016432309710.521046451042-0.1088079036790.71952424970443.501838488245.0443026775-23.6592398533
194.67151395344-2.465565655231.894517480653.2687138267-1.036807411391.07414460892-0.7873789898170.0776557973346-1.597363619860.06078618937430.819770721493-0.2788043072830.206531570541-0.8013986891520.07309792477440.727066877393-0.0666481572380.4941608862910.749210029155-0.1766638697891.0451194622140.737623431246.9722904606-5.54823303579
204.235981362620.8130276348953.22165220820.797810147079-0.9357926382086.213381444380.0246538239672-0.357840736867-1.704132724210.4674452236990.0306695562297-0.0565746365871.07222721567-0.960313124124-0.1625188507480.87228927617-0.1473052839840.4415085329890.4625796164510.03623816112260.97741063578443.933186450541.2431496459-12.5954557349
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 5 )
2X-RAY DIFFRACTION2chain 'A' and (resid 6 through 10 )
3X-RAY DIFFRACTION3chain 'A' and (resid 11 through 17 )
4X-RAY DIFFRACTION4chain 'A' and (resid 18 through 29 )
5X-RAY DIFFRACTION5chain 'A' and (resid 30 through 49 )
6X-RAY DIFFRACTION6chain 'A' and (resid 50 through 62 )
7X-RAY DIFFRACTION7chain 'A' and (resid 63 through 78 )
8X-RAY DIFFRACTION8chain 'A' and (resid 79 through 87 )
9X-RAY DIFFRACTION9chain 'A' and (resid 88 through 92 )
10X-RAY DIFFRACTION10chain 'A' and (resid 93 through 97 )
11X-RAY DIFFRACTION11chain 'A' and (resid 98 through 104 )
12X-RAY DIFFRACTION12chain 'A' and (resid 105 through 111 )
13X-RAY DIFFRACTION13chain 'B' and (resid 1 through 11 )
14X-RAY DIFFRACTION14chain 'B' and (resid 12 through 24 )
15X-RAY DIFFRACTION15chain 'B' and (resid 25 through 31 )
16X-RAY DIFFRACTION16chain 'B' and (resid 32 through 64 )
17X-RAY DIFFRACTION17chain 'B' and (resid 65 through 78 )
18X-RAY DIFFRACTION18chain 'B' and (resid 79 through 90 )
19X-RAY DIFFRACTION19chain 'B' and (resid 91 through 100 )
20X-RAY DIFFRACTION20chain 'B' and (resid 101 through 111 )

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