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- PDB-5tl7: Crystal structure of SARS-CoV papain-like protease in complex wit... -

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Basic information

Entry
Database: PDB / ID: 5tl7
TitleCrystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15
Components
  • Replicase polyprotein 1ab
  • Ubiquitin-like protein ISG15
KeywordsSignaling protein/Hydrolase / Signaling protein / Hydrolase / Signaling protein-Hydrolase complex
Function / homology
Function and homology information


Modulation of host responses by IFN-stimulated genes / Termination of translesion DNA synthesis / ISG15 antiviral mechanism / ISG15-protein conjugation / positive regulation of protein oligomerization / PKR-mediated signaling / regulation of type II interferon production / Assembly of the SARS-CoV-1 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / Transcription of SARS-CoV-1 sgRNAs ...Modulation of host responses by IFN-stimulated genes / Termination of translesion DNA synthesis / ISG15 antiviral mechanism / ISG15-protein conjugation / positive regulation of protein oligomerization / PKR-mediated signaling / regulation of type II interferon production / Assembly of the SARS-CoV-1 Replication-Transcription Complex (RTC) / Maturation of replicase proteins / Transcription of SARS-CoV-1 sgRNAs / protein localization to mitochondrion / response to type I interferon / Translation of Replicase and Assembly of the Replication Transcription Complex / K48-linked deubiquitinase activity / Replication of the SARS-CoV-1 genome / negative regulation of type I interferon-mediated signaling pathway / host cell endoplasmic reticulum / K63-linked deubiquitinase activity / negative regulation of viral genome replication / viral transcription / SARS-CoV-1 modulates host translation machinery / positive regulation of interleukin-10 production / positive regulation of bone mineralization / negative regulation of protein ubiquitination / positive regulation of interferon-beta production / positive regulation of erythrocyte differentiation / Transferases; Transferring one-carbon groups; Methyltransferases / integrin-mediated signaling pathway / response to bacterium / modification-dependent protein catabolic process / response to virus / protein tag activity / integrin binding / positive regulation of type II interferon production / SARS-CoV-1 activates/modulates innate immune responses / 5'-3' RNA helicase activity / Lyases; Phosphorus-oxygen lyases / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / host cell endoplasmic reticulum-Golgi intermediate compartment / double membrane vesicle viral factory outer membrane / SARS coronavirus main proteinase / 5'-3' DNA helicase activity / 3'-5'-RNA exonuclease activity / endonuclease activity / host cell endosome / symbiont-mediated degradation of host mRNA / mRNA guanylyltransferase / symbiont-mediated suppression of host ISG15-protein conjugation / G-quadruplex RNA binding / omega peptidase activity / defense response to virus / mRNA (guanine-N7)-methyltransferase / 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 / regulation of autophagy / defense response to bacterium / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated suppression of host gene expression / 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 / ATP hydrolysis activity / proteolysis / extracellular region / zinc ion binding / ATP binding / identical protein binding / membrane / cytoplasm
Similarity search - Function
Papain-like viral protease, N-terminal domain / Papain-like viral protease, thumb domain / Jelly Rolls - #1680 / : / Non-structural protein 3, SUD-N macrodomain, SARS-CoV / Helicase, Ruva Protein; domain 3 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues ...Papain-like viral protease, N-terminal domain / Papain-like viral protease, thumb domain / Jelly Rolls - #1680 / : / Non-structural protein 3, SUD-N macrodomain, SARS-CoV / Helicase, Ruva Protein; domain 3 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / RNA-dependent RNA polymerase, SARS-CoV-like / Ubiquitin domain profile. / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / Ubiquitin-like domain / 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 / : / 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 / 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
Similarity search - Domain/homology
Replicase polyprotein 1ab / Ubiquitin-like protein ISG15
Similarity search - Component
Biological speciesMus musculus (house mouse)
SARS coronavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.44 Å
AuthorsDaczkowski, C.D. / Dzimianski, J.V. / Pegan, S.D.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)1R01AI109008 United States
United States Department of Agriculture (USDA)58-5030-5-034 United States
CitationJournal: J. Mol. Biol. / Year: 2017
Title: Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
Authors: Daczkowski, C.M. / Dzimianski, J.V. / Clasman, J.R. / Goodwin, O. / Mesecar, A.D. / Pegan, S.D.
History
DepositionOct 10, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 3, 2017Provider: repository / Type: Initial release
Revision 1.1Jun 14, 2017Group: Database references / Category: citation
Item: _citation.country / _citation.journal_id_ASTM ..._citation.country / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title
Revision 1.2Sep 27, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Revision 1.5Oct 16, 2024Group: Derived calculations / Structure summary
Category: pdbx_entry_details / pdbx_modification_feature / struct_conn
Item: _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ubiquitin-like protein ISG15
B: Replicase polyprotein 1ab
C: Ubiquitin-like protein ISG15
D: Replicase polyprotein 1ab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,3116
Polymers90,1814
Non-polymers1312
Water2,198122
1
A: Ubiquitin-like protein ISG15
B: Replicase polyprotein 1ab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1563
Polymers45,0902
Non-polymers651
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Ubiquitin-like protein ISG15
D: Replicase polyprotein 1ab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1563
Polymers45,0902
Non-polymers651
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)75.981, 98.191, 106.636
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein Ubiquitin-like protein ISG15 / Interferon-induced 15 kDa protein / Interferon-induced 17 kDa protein / IP17 / Ubiquitin cross- ...Interferon-induced 15 kDa protein / Interferon-induced 17 kDa protein / IP17 / Ubiquitin cross-reactive protein


Mass: 9280.692 Da / Num. of mol.: 2 / Fragment: C-terminal domain (UNP residues 78-155
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Isg15, G1p2, Ucrp / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q64339
#2: Protein Replicase polyprotein 1ab / pp1ab / ORF1ab polyprotein


Mass: 35809.629 Da / Num. of mol.: 2 / Fragment: UNP residues 1541-1855
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) SARS coronavirus / Gene: rep, 1a-1b / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P0C6X7, ubiquitinyl hydrolase 1, SARS coronavirus main proteinase, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases, RNA-directed RNA polymerase, DNA ...References: UniProt: P0C6X7, ubiquitinyl hydrolase 1, SARS coronavirus main proteinase, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases, RNA-directed RNA polymerase, DNA helicase, RNA helicase, Transferases; Transferring one-carbon groups; Methyltransferases, Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters, Hydrolases; Acting on ester bonds
#3: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 122 / 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: 2.21 Å3/Da / Density % sol: 44.23 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 65% (v/v) MPD, 0.1 M Tris [pH 8.0], supplemented with 30% (w/v) Trimethylamine N-oxide dihydrate additive in a 1:5 dilution

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.9786 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Jun 26, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9786 Å / Relative weight: 1
ReflectionResolution: 2.44→72.23 Å / Num. obs: 29922 / % possible obs: 99.1 % / Redundancy: 2.4 % / Rmerge(I) obs: 0.099 / Net I/σ(I): 18
Reflection shellResolution: 2.44→2.53 Å / Rmerge(I) obs: 0.742

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Processing

Software
NameVersionClassification
REFMAC5.8.0073refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3E9S,5JZE

3e9s

5jze


Resolution: 2.44→72.23 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.905 / SU B: 24.002 / SU ML: 0.264 / Cross valid method: THROUGHOUT / ESU R: 0.697 / ESU R Free: 0.315 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.26744 1529 5.1 %RANDOM
Rwork0.19211 ---
obs0.19615 28405 98.88 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 64.266 Å2
Baniso -1Baniso -2Baniso -3
1-0.09 Å20 Å20 Å2
2---0.01 Å20 Å2
3----0.08 Å2
Refinement stepCycle: 1 / Resolution: 2.44→72.23 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6226 0 2 122 6350
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.0196362
X-RAY DIFFRACTIONr_bond_other_d0.0010.026006
X-RAY DIFFRACTIONr_angle_refined_deg1.4341.9518602
X-RAY DIFFRACTIONr_angle_other_deg0.754313822
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.4565777
X-RAY DIFFRACTIONr_dihedral_angle_2_deg39.39524.364291
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.493151112
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.281528
X-RAY DIFFRACTIONr_chiral_restr0.0770.2966
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.027165
X-RAY DIFFRACTIONr_gen_planes_other0.0010.021495
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it2.0093.5093120
X-RAY DIFFRACTIONr_mcbond_other2.0083.5093119
X-RAY DIFFRACTIONr_mcangle_it2.9575.263893
X-RAY DIFFRACTIONr_mcangle_other2.9585.2613894
X-RAY DIFFRACTIONr_scbond_it2.4763.7843242
X-RAY DIFFRACTIONr_scbond_other2.4763.7843243
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other3.8115.5674710
X-RAY DIFFRACTIONr_long_range_B_refined6.4128.1866933
X-RAY DIFFRACTIONr_long_range_B_other6.4128.1236917
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.442→2.506 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.306 118 -
Rwork0.263 1983 -
obs--96.6 %
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)
112.5229-3.7431-7.69877.00575.289210.67310.2448-0.29070.92630.24670.0449-0.2775-0.22910.0127-0.28960.35830.0238-0.05480.16040.02360.226-34.6124.17436.5
28.1204-1.40476.89571.1784-1.658322.11280.46661.17230.0733-0.0605-0.34230.10220.43210.3199-0.12420.43740.0344-0.01360.3239-0.010.2834-24.761115.83726.756
38.065-3.3124-12.946211.06621.073430.44050.92920.20960.2298-0.5522-0.46590.1787-0.7624-0.2081-0.46320.2904-0.018-0.03560.2588-0.00230.1741-35.345119.60632.436
42.0357-0.2247-2.54045.12753.4386.4802-0.1487-0.287-0.1550.0774-0.00670.43170.10210.09570.15540.29060.03380.00050.23160.03850.2372-33.57117.64144.355
59.9527-0.7030.70167.4284-0.1978.34720.21880.035-0.2445-0.418-0.39690.61520.3177-0.67080.17810.3421-0.0108-0.09020.2628-0.08880.3082-34.7110.99134.753
66.0304-5.9165-0.28217.02022.67996.0870.12290.0111-0.21820.0720.0747-0.13370.377-0.1731-0.19760.29540.0034-0.01510.2031-0.06610.3537-25.024111.4638.487
710.63853.1741-4.98633.59481.40495.53570.1692-0.66770.34620.2266-0.01470.05210.1530.4782-0.15450.35610.0351-0.03830.2033-0.01940.2395-23.97119.86846.496
813.22060.97910.47388.1021-2.32522.4967-0.1433-0.25460.4773-0.02240.40260.1433-0.35510.069-0.25930.34630.02080.03260.2203-0.04460.2431-28.352124.49345.111
98.5577-4.30510.67826.69580.64085.41760.29490.16310.5586-0.6617-0.1381-0.0519-0.44360.1278-0.15680.3744-0.00940.0220.2050.03450.2732-28.987126.57435.776
105.5999-3.9993-1.66446.9147-3.55756.0947-0.23590.0645-0.4589-0.03550.36980.48290.3532-0.5211-0.13390.3534-0.0424-0.03530.1495-0.0690.3171-19.869108.46336.304
113.83360.9997-1.14970.8352-1.24972.0092-0.2392-0.3856-0.4351-0.06530.1896-0.05570.2901-0.37360.04960.50450.02110.04350.26860.02580.3434-23.32199.66767.146
126.01393.42011.37079.29530.20795.3872-0.0241-0.1186-0.25620.0916-0.16050.23560.2804-0.15670.18460.26730.02320.04740.2065-0.01370.2068-22.212101.04963.665
130.93542.9832-1.828714.96082.302517.80130.2958-0.2015-0.0360.7804-0.2183-0.2373-0.01090.1765-0.07750.6717-0.14240.02450.70020.01820.5503-17.218121.92766.489
144.407-1.1045-1.7694.0923-0.0973.4118-0.039-0.2782-0.20930.099-0.03250.07940.06450.29410.07140.2225-0.0255-0.08080.07180.0010.1428-8.04109.58455.284
151.34510.28820.13581.31010.71752.93770.0094-0.0118-0.0172-0.1408-0.0756-0.117-0.03890.28970.06620.30140.03040.00290.0532-0.00990.2476-6.29112.19248.642
161.6988-0.38292.62520.9458-1.8396.2841-0.09860.32580.2776-0.0537-0.15-0.0215-0.35940.41250.24860.4310.09030.02170.22270.0290.3086-12.647126.72832.695
170.90231.04860.52243.5497-1.03664.2327-0.04390.16610.1608-0.5106-0.1040.3718-0.2389-0.18570.1480.45380.0641-0.04230.21380.04790.2945-11.126123.58827.632
182.3230.16660.39522.3029-0.86362.4508-0.04960.33750.0124-0.3116-0.01150.0662-0.03790.2510.06110.46450.03730.0310.2288-0.0520.2108-7.463114.03329.008
1910.22514.7898-8.02934.84610.391113.4894-0.0459-0.2424-0.0446-0.41560.0096-0.1877-0.1960.57720.03630.45460.17030.0590.37920.03740.35726.657102.7835.197
201.51370.40480.02638.07650.92792.20680.19450.37310.1741-0.3186-0.1823-0.276-0.17520.3949-0.01230.3697-0.01120.02150.32670.01540.2208-2.384119.59427.251
2113.6713-1.51294.07552.7622-0.16372.9611-0.1167-0.30620.11430.36690.07920.2311-0.2328-0.28440.03760.4066-0.0329-0.00280.27330.02120.333418.191135.3482.494
221.7548-2.437-3.627920.973823.525427.06840.35410.3626-0.1384-0.40530.3709-1.0334-0.47510.3677-0.7250.72450.08150.05440.72960.27490.920632.269131.7463.495
238.0512-0.32192.65938.9023-3.743512.5586-0.23240.5530.84460.1104-0.0246-0.5514-0.6581-0.03290.25710.3347-0.03960.02130.16470.03030.397421.719136.965-1.224
241.6906-3.15041.8367.2328-1.66694.3160.0042-0.081-0.0716-0.11750.12530.1486-0.0286-0.1684-0.12950.30870.0146-0.00480.21410.03570.369311.115129.759-3.897
2511.84522.93632.27074.2603-7.420218.5-0.1810.2963-0.3231-0.25280.0847-0.14030.3782-0.04160.09630.33090.094-0.06530.28520.01430.354119.128126.55-6.397
266.50931.93845.011724.02683.60444.0692-0.25640.14970.2348-0.53440.2278-0.5687-0.23930.09350.02870.3270.03340.0420.32560.0970.502326.209131.091-6.453
272.03462.33483.36298.1624-1.89411.6742-0.23680.1241-0.2625-0.99290.3586-0.64320.4174-0.1447-0.12180.3520.00120.03190.28670.06730.471226.741122.728-3.057
285.62692.75496.97369.72726.839614.45190.214-0.2529-0.3127-0.0054-0.1710.0821-0.06260.0073-0.04290.24730.01440.04030.2390.05320.35115.816121.9524.691
298.4177-4.5084-2.79894.00822.79428.963-0.1588-0.2279-0.00850.16230.1420.50610.374-0.99260.01670.31470.01640.02350.19550.03290.451310.573125.8991.89
305.1971-5.3298-0.879210.49440.40460.59940.0330.28080.2380.2773-0.2549-0.0236-0.2649-0.01430.22190.35280.013-0.04860.23810.01990.273923.967125.8393.901
315.94350.9135-0.00283.53650.19466.8080.01540.5426-0.6788-0.5072-0.09870.22120.5757-0.08540.08320.41260.0028-0.07280.1191-0.07370.446910.79298.412-14.159
328.0826-0.7244-2.04284.5782-0.04848.8440.06840.1985-0.1779-0.2015-0.15730.02060.05710.17660.0890.37180.0022-0.11270.1279-0.01760.361212.627102.044-12.754
3315.9582-4.15392.94533.5132-0.64428.08110.0394-0.3178-0.394-0.2044-0.0350.24440.1246-0.5255-0.00430.3391-0.03830.01150.27990.00390.46560.536107.1046.436
343.1288-0.07280.07491.9955-0.07741.97730.04210.0748-0.17220.0225-0.00080.24980.26460.043-0.04140.2460.0026-0.0150.0050.01780.258721.728101.4387.344
353.5106-3.9346-0.570410.7915-1.28680.7343-0.0868-0.1918-0.28120.614-0.05930.1842-0.00170.05330.14620.4422-0.07920.07670.27340.03950.351415.412101.65116.626
362.22470.37440.30032.01811.27192.8376-0.0101-0.20270.143-0.0348-0.00690.2008-0.0046-0.03060.0170.2369-0.0145-0.0060.03270.05180.324320.978109.056.884
374.2083.9225-0.61996.6375-0.96922.8010.3851-0.19320.52850.2149-0.38330.4046-0.1154-0.146-0.00180.27170.10.03750.1449-0.03130.414925.792129.38321.369
381.23220.1538-0.44891.9835-0.05151.83870.1283-0.11950.36710.22870.06640.0199-0.10360.0735-0.19460.28470.02240.03120.0702-0.02270.30535.449121.64919.115
391.9553-0.99372.81864.0287-2.19557.72430.0877-0.0438-0.03650.0649-0.0702-0.03720.050.1623-0.01750.20560.01030.03150.1855-0.02370.241838.8103.21513.061
402.1449-1.0509-0.99162.73280.86234.9930.0172-0.24840.0880.26320.0185-0.0595-0.19930.1038-0.03570.3052-0.06690.02330.1292-0.02370.244235.573117.58623.562
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A79 - 84
2X-RAY DIFFRACTION2A85 - 90
3X-RAY DIFFRACTION3A91 - 95
4X-RAY DIFFRACTION4A96 - 107
5X-RAY DIFFRACTION5A108 - 114
6X-RAY DIFFRACTION6A115 - 124
7X-RAY DIFFRACTION7A125 - 134
8X-RAY DIFFRACTION8A135 - 140
9X-RAY DIFFRACTION9A141 - 147
10X-RAY DIFFRACTION10A148 - 154
11X-RAY DIFFRACTION11B1 - 45
12X-RAY DIFFRACTION12B46 - 62
13X-RAY DIFFRACTION13B63 - 69
14X-RAY DIFFRACTION14B70 - 107
15X-RAY DIFFRACTION15B108 - 169
16X-RAY DIFFRACTION16B170 - 195
17X-RAY DIFFRACTION17B196 - 224
18X-RAY DIFFRACTION18B225 - 279
19X-RAY DIFFRACTION19B280 - 296
20X-RAY DIFFRACTION20B297 - 316
21X-RAY DIFFRACTION21C79 - 85
22X-RAY DIFFRACTION22C86 - 90
23X-RAY DIFFRACTION23C91 - 95
24X-RAY DIFFRACTION24C96 - 102
25X-RAY DIFFRACTION25C103 - 108
26X-RAY DIFFRACTION26C109 - 113
27X-RAY DIFFRACTION27C114 - 123
28X-RAY DIFFRACTION28C124 - 132
29X-RAY DIFFRACTION29C133 - 140
30X-RAY DIFFRACTION30C141 - 154
31X-RAY DIFFRACTION31D4 - 43
32X-RAY DIFFRACTION32D44 - 62
33X-RAY DIFFRACTION33D63 - 72
34X-RAY DIFFRACTION34D73 - 126
35X-RAY DIFFRACTION35D127 - 144
36X-RAY DIFFRACTION36D145 - 178
37X-RAY DIFFRACTION37D179 - 209
38X-RAY DIFFRACTION38D210 - 267
39X-RAY DIFFRACTION39D268 - 295
40X-RAY DIFFRACTION40D296 - 316

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