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- PDB-5wfi: X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in comp... -

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Basic information

Entry
Database: PDB / ID: 5wfi
TitleX-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
Components
  • Ubiquitin
  • papain-like protease
KeywordsVIRAL PROTEIN / ubiquitin specific protease / USP / papain-like protease / MHV / Mouse Hepatitis Virus / coronavirus / PLP / PLP2 / DUB / deubiquitinase
Function / homology
Function and homology information


hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / mitochondrion transport along microtubule / fat pad development / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / host cell membrane ...hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / mitochondrion transport along microtubule / fat pad development / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / host cell membrane / energy homeostasis / regulation of neuron apoptotic process / regulation of proteasomal protein catabolic process / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Negative regulation of FLT3 / Constitutive Signaling by NOTCH1 HD Domain Mutants / Regulation of FZD by ubiquitination / TICAM1,TRAF6-dependent induction of TAK1 complex / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / p75NTR recruits signalling complexes / Downregulation of ERBB4 signaling / APC-Cdc20 mediated degradation of Nek2A / PINK1-PRKN Mediated Mitophagy / TRAF6-mediated induction of TAK1 complex within TLR4 complex / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / Pexophagy / Regulation of innate immune responses to cytosolic DNA / InlA-mediated entry of Listeria monocytogenes into host cells / VLDLR internalisation and degradation / Downregulation of ERBB2:ERBB3 signaling / NF-kB is activated and signals survival / NRIF signals cell death from the nucleus / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Translesion synthesis by REV1 / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / Translesion synthesis by POLK / MAP3K8 (TPL2)-dependent MAPK1/3 activation / TICAM1, RIP1-mediated IKK complex recruitment / Downregulation of TGF-beta receptor signaling / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLI / Gap-filling DNA repair synthesis and ligation in GG-NER / Josephin domain DUBs / neuron projection morphogenesis / Regulation of activated PAK-2p34 by proteasome mediated degradation / InlB-mediated entry of Listeria monocytogenes into host cell / IKK complex recruitment mediated by RIP1 / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / regulation of mitochondrial membrane potential / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Autodegradation of Cdh1 by Cdh1:APC/C / TNFR1-induced NF-kappa-B signaling pathway / APC/C:Cdc20 mediated degradation of Securin / positive regulation of protein ubiquitination / Asymmetric localization of PCP proteins / TCF dependent signaling in response to WNT / SCF-beta-TrCP mediated degradation of Emi1 / AUF1 (hnRNP D0) binds and destabilizes mRNA / NIK-->noncanonical NF-kB signaling / Ubiquitin-dependent degradation of Cyclin D / Regulation of NF-kappa B signaling / TNFR2 non-canonical NF-kB pathway / activated TAK1 mediates p38 MAPK activation / Assembly of the pre-replicative complex / Vpu mediated degradation of CD4 / NOTCH3 Activation and Transmission of Signal to the Nucleus / Negative regulators of DDX58/IFIH1 signaling / Deactivation of the beta-catenin transactivating complex / Degradation of DVL / Ubiquitin Mediated Degradation of Phosphorylated Cdc25A / Regulation of signaling by CBL / Dectin-1 mediated noncanonical NF-kB signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Fanconi Anemia Pathway / Negative regulation of FGFR3 signaling / Hh mutants are degraded by ERAD / Recognition of DNA damage by PCNA-containing replication complex / Peroxisomal protein import / Degradation of AXIN / Downregulation of SMAD2/3:SMAD4 transcriptional activity / Degradation of GLI1 by the proteasome
Similarity search - Function
NSP3, DPUP domain, murine hepatitis virus-like / RNA-dependent RNA polymerase, coronavirus HKU1-like / Non-structural protein 2, MHV-like / Peptidase C30/C16, Betacoronavirus / Betacoronavirus, lineage A, NSP1 / Peptidase C16 family / Betacoronavirus, lineage A, NSP1 / DNA2/NAM7-like helicase / AAA domain / Ubiquitin domain signature. ...NSP3, DPUP domain, murine hepatitis virus-like / RNA-dependent RNA polymerase, coronavirus HKU1-like / Non-structural protein 2, MHV-like / Peptidase C30/C16, Betacoronavirus / Betacoronavirus, lineage A, NSP1 / Peptidase C16 family / Betacoronavirus, lineage A, NSP1 / DNA2/NAM7-like helicase / AAA domain / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin family / Nonstructural protein 14, betacoronavirus / NSP15, NendoU domain, coronavirus / : / : / Coronavirus Nonstructural protein 13, 1B domain / Coronavirus Non-structural protein 13, zinc-binding domain / Coronavirus Nonstructural protein 13, stalk domain / : / Coronavirus Nsp12 Interface domain profile. / Nonstructural protein 15, middle domain, alpha/betacoronavirus / Nonstructural protein 15, N-terminal domain, alpha/beta-coronavirus / NSP14, guanine-N7-methyltransferase domain, coronavirus / NSP12 RNA-dependent RNA polymerase, coronavirus / Coronavirus (CoV) guanine-N7-methyltransferase (N7-MTase) domain profile. / Coronavirus (CoV) Nsp15 N-terminal oligomerization domain profile. / Nidovirus 2-O-methyltransferase / Coronavirus Nsp12 RNA-dependent RNA polymerase (RdRp) domain profile. / Nidovirus 3'-5' exoribonuclease domain / Nidovirus 2'-O-methyltransferase (2'-O-MTase) domain profile. / Nidovirus 3'-5' exoribonuclease (ExoN) domain profile. / Nonstructural protein 13, 1B domain, coronavirus / Arterivirus Nsp11 N-terminal/Coronavirus NSP15 middle domain / Non-structural protein NSP15, N-terminal domain superfamily, coronavirus / Non-structural protein NSP15, middle domain superfamily / Coronavirus replicase NSP15, N-terminal oligomerization / Nonstructural protein 15, middle domain, coronavirus / Coronavirus replicase NSP15, middle domain / Coronavirus replicase NSP15, N-terminal oligomerisation / Arterivirus Nsp11 N-terminal/coronavirus NSP15 middle (AV-Nsp11N/CoV-Nsp15M) domain profile. / Non-structural protein NSP16, coronavirus-like / Non-structural protein 14, coronavirus / RNA polymerase, N-terminal, coronavirus / Coronavirus 2'-O-methyltransferase / Coronavirus proofreading exoribonuclease / Coronavirus RNA-dependent RNA polymerase, N-terminal / Nidoviral uridylate-specific endoribonuclease (NendoU) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain / Nonstructural protein 13, zinc-binding domain, coronavirus-like / Coronaviridae zinc-binding (CV ZBD) domain profile. / Nidovirus RdRp-associated nucleotidyl transferase (NiRAN) domain profile. / Endoribonuclease EndoU-like / NendoU domain, nidovirus / Coronavirus replicase NSP15, uridylate-specific endoribonuclease / Ubiquitin homologues / DNA2/NAM7 helicase-like, C-terminal / AAA domain / Ubiquitin domain profile. / Ubiquitin-like domain / (+) RNA virus helicase core domain / (+)RNA virus helicase core domain profile. / : / Betacoronavirus Nsp3e group 2-specific marker (G2M) domain profile. / NSP1, C-terminal domain, betacoronavirus / Betacoronavirus (BetaCoV) Nsp1 C-terminal domain profile. / Betacoronavirus Nsp3c-C domain profile. / Betacoronavirus Nsp3e nucleic acid-binding (NAB) domain profile. / DPUP/SUD, C-terminal, betacoronavirus / Non-structural protein NSP3, nucleic acid-binding domain superfamily, betacoronavirus / Non-structural protein 6, betacoronavirus / Betacoronavirus nucleic acid-binding (NAB) / Non-structural protein NSP3, nucleic acid-binding domain, betacoronavirus / Non-structural protein NSP3A domain-like superfamily / Papain-like protease, N-terminal domain superfamily, coronavirus / Papain-like viral protease, palm and finger domains, coronavirus / : / Coronavirus 3Ecto domain profile. / : / Coronavirus (CoV) Nsp2 middle domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / NSP1, globular domain, alpha/betacoronavirus / : / Coronavirus (CoV) Nsp3 Y domain profile. / Coronavirus (CoV) Nsp1 globular domain profile. / Nonstructural protein 2, N-terminal domain, coronavirus / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Coronavirus Nsp4 C-terminal (Nsp4C) domain profile. / Papain-like protease, thumb domain superfamily, coronavirus / Coronavirus replicase NSP7
Similarity search - Domain/homology
FORMIC ACID / Replicase polyprotein 1ab / Polyubiquitin-B
Similarity search - Component
Biological speciesMurine coronavirus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.851 Å
AuthorsMesecar, A.D. / Chen, Y.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01AI085089 United States
CitationJournal: To Be Published
Title: X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
Authors: Mesecar, A.D. / Chen, Y.
History
DepositionJul 12, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 1, 2018Provider: repository / Type: Initial release
Revision 1.1Sep 25, 2019Group: Data collection / Category: reflns
Item: _reflns.pdbx_Rmerge_I_obs / _reflns.pdbx_Rpim_I_all / _reflns.pdbx_Rrim_I_all
Revision 1.2Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: papain-like protease
B: papain-like protease
C: Ubiquitin
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)86,07818
Polymers84,9344
Non-polymers1,14414
Water11,494638
1
A: papain-like protease
C: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,0399
Polymers42,4672
Non-polymers5727
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3690 Å2
ΔGint-9 kcal/mol
Surface area17340 Å2
MethodPISA
2
B: papain-like protease
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,0399
Polymers42,4672
Non-polymers5727
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3400 Å2
ΔGint-7 kcal/mol
Surface area17310 Å2
MethodPISA
Unit cell
Length a, b, c (Å)199.515, 43.388, 110.159
Angle α, β, γ (deg.)90.00, 114.85, 90.00
Int Tables number5
Space group name H-MC121

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein papain-like protease / pp1ab / ORF1ab polyprotein


Mass: 33890.113 Da / Num. of mol.: 2 / Fragment: UNP residues 1609-1911 / Mutation: C1716S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Murine coronavirus (strain A59) / Strain: A59 / Gene: rep, 1a-1b / Production host: Escherichia coli (E. coli)
References: UniProt: P0C6X9, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases
#2: Protein Ubiquitin


Mass: 8576.831 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBB / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: P0CG47

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Non-polymers , 4 types, 652 molecules

#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CH2O2
#5: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 638 / Source method: isolated from a natural source / Formula: H2O

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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: 2.55 Å3/Da / Density % sol: 51.71 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 50 mM Tris, pH 7.5, 100 mM sodium chloride, 5 mM DTT, 0.2 M potassium formate, 20% PEG3350
Temp details: Room Temperature

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.98 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 15, 2015
RadiationMonochromator: diamond(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 1.85→100 Å / Num. obs: 73615 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Biso Wilson estimate: 26.5 Å2 / CC1/2: 0.952 / Rmerge(I) obs: 0.052 / Rpim(I) all: 0.031 / Rrim(I) all: 0.061 / Net I/σ(I): 25.3
Reflection shellHighest resolution: 1.85 Å

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Processing

Software
NameVersionClassification
PHENIX(1.10_2155: ???)refinement
HKL-2000data reduction
SCALEPACKdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 4YPT

4ypt


Resolution: 1.851→37.576 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.13
RfactorNum. reflection% reflection
Rfree0.1973 1999 2.72 %
Rwork0.1571 --
obs0.1582 73602 99.81 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 1.851→37.576 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5931 0 68 638 6637
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0066182
X-RAY DIFFRACTIONf_angle_d0.7388350
X-RAY DIFFRACTIONf_dihedral_angle_d10.4933733
X-RAY DIFFRACTIONf_chiral_restr0.051927
X-RAY DIFFRACTIONf_plane_restr0.0051065
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.851-1.89730.28271410.22525055X-RAY DIFFRACTION99
1.8973-1.94860.27861400.20575034X-RAY DIFFRACTION100
1.9486-2.00590.2411430.18885090X-RAY DIFFRACTION100
2.0059-2.07060.24391420.18255084X-RAY DIFFRACTION100
2.0706-2.14460.2211410.1725062X-RAY DIFFRACTION100
2.1446-2.23050.20881420.16745083X-RAY DIFFRACTION100
2.2305-2.3320.22721430.16235098X-RAY DIFFRACTION100
2.332-2.45490.24381420.16925101X-RAY DIFFRACTION100
2.4549-2.60870.2181430.16995101X-RAY DIFFRACTION100
2.6087-2.810.23111430.17695133X-RAY DIFFRACTION100
2.81-3.09270.20951430.17025136X-RAY DIFFRACTION100
3.0927-3.53990.21571440.15385139X-RAY DIFFRACTION100
3.5399-4.45880.14591450.12435198X-RAY DIFFRACTION100
4.4588-37.58410.15581470.14135289X-RAY DIFFRACTION99
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
12.5311.4748-1.16372.037-1.62342.3664-0.26540.32270.1423-0.55080.2636-0.15870.33090.06460.00990.3271-0.0280.0170.31440.0430.2616-9.73231.48249.1752
21.9453-0.07981.22081.4174-0.86173.4093-0.00510.17210.0253-0.1155-0.0394-0.072-0.08990.25130.03530.20340.01980.00790.2126-0.03140.1495-2.978223.936130.9192
31.68780.3261-0.34191.74-0.05423.3389-0.0074-0.0995-0.06770.2556-0.0229-0.130.49180.16490.02960.32550.0132-0.07240.218-0.00040.2228-0.191214.617251.2815
41.5965-0.0644-0.03323.64130.262.7648-0.00220.1053-0.2647-0.3213-0.12950.34090.1445-0.17460.11260.2015-0.03070.00510.2115-0.06430.267523.016711.3686-7.1721
51.80220.62420.20582.0926-0.32972.5203-0.0687-0.0994-0.02720.00490.11190.20620.0157-0.3578-0.03330.15010.02220.00760.21360.0130.22829.553715.415114.8839
62.04531.0280.47161.15150.33980.9726-0.0171-0.22940.10870.0199-0.02540.0267-0.13890.03710.03720.21770.04610.0130.1905-0.010.188746.313525.232326.3747
72.45260.67930.02780.90810.01472.16440.029-0.68240.03320.34710.00260.2733-0.0854-0.3327-0.01570.27010.05310.06280.43090.02160.256331.766317.810932.9857
85.9809-0.6377-1.80712.6607-0.38591.336-0.3661-0.39520.17860.24740.0581-0.1643-0.4364-0.30570.26440.32430.0733-0.04640.43-0.14710.2728-5.31933.510663.6911
95.0819-1.63464.7626.9288-2.99927.5766-0.1853-0.2310.24790.0459-0.01370.5451-0.7229-0.19960.17580.4050.1042-0.05680.3576-0.14070.331-8.654137.816264.4114
102.1428-0.10151.23370.4752-0.41221.10020.0803-0.18860.1039-0.1405-0.09190.2549-0.1106-0.24840.1140.12730.5393-0.42390.6917-0.33650.6463-18.905337.377756.9207
114.72911.2884-1.155.16440.44362.1151-0.0129-0.29770.9339-0.3519-0.08910.1255-0.688-0.1183-0.01040.59170.1305-0.15610.3643-0.15990.4338-7.995540.312654.8865
121.81390.29640.46174.52561.58621.7348-0.3962-0.04230.4545-0.43930.2669-0.4276-0.78460.24940.15760.4983-0.038-0.04960.2918-0.0710.3291-2.653835.221151.0046
134.8004-2.3909-0.90364.79-1.29962.61490.00280.09520.1433-0.606-0.4760.7252-0.5212-0.52660.38190.36070.0364-0.13730.4056-0.10030.305-12.795127.911651.8286
140.90480.3440.24943.61451.18244.1429-0.1788-0.2014-0.20160.0524-0.4030.954-0.0102-0.83880.40490.2739-0.0084-0.0730.7746-0.24090.3964-17.817428.648760.2195
152.8405-1.0318-2.83840.90670.97485.236-0.0327-0.06840.256-0.09960.0209-0.0669-0.51420.28020.04810.3234-0.0527-0.04350.3338-0.06540.25030.380630.302851.7721
162.46531.6958-2.35272.797-2.64634.78760.0276-0.1999-0.1268-0.0379-0.1592-0.19630.24910.31870.08340.21530.04870.02820.24140.09570.232962.968215.315221.5412
173.0997-1.48570.49564.48960.44511.97980.17670.1707-0.22580.2157-0.1757-0.5310.12630.416-0.1320.20410.06510.04060.24860.07170.254166.425714.43717.1793
183.623-0.30091.12470.6947-0.5561.02720.45240.75530.1264-0.5535-0.2848-0.43070.12080.2046-0.10190.2760.0680.07180.28470.08330.271362.978820.52296.4842
193.5421-1.2237-1.30257.0941-1.17682.41380.13970.2799-0.4529-0.2187-0.11480.05070.15310.0636-0.01860.23210.06390.03420.1624-0.00610.216459.502210.616411.382
202.631-1.1376-0.8262.86980.26152.21020.00160.0096-0.5908-0.0429-0.1210.61190.27780.05230.15920.21620.05160.02650.169-0.01730.266752.349810.075315.5508
215.1091-2.30981.77172.80341.04886.56260.098-0.0477-0.201-0.11380.00390.0939-0.29970.0203-0.12320.20420.01220.01470.16770.01440.202452.076323.867518.7866
227.92370.6436-1.97555.48682.69362.3304-0.1050.74190.2918-0.1227-0.33250.1578-0.0581-0.34630.45350.2040.021-0.03750.20480.03110.226951.087720.5199.0933
233.2579-0.9001-0.35192.05370.26191.60980.0730.27710.9384-0.43760.0112-0.4829-0.22560.2343-0.01430.26490.06180.02960.18840.07850.315956.713825.41379.0037
246.34530.3782-1.58372.0259-1.34068.20120.2678-0.0460.2984-0.1498-0.11490.3116-0.23140.5929-0.03720.20580.00830.02510.20460.03090.280564.416626.47215.5764
254.35810.9125-0.25832.17590.02672.87280.2426-0.0371-0.12950.1026-0.27690.0723-0.05490.22110.01340.18410.00510.01230.17490.02390.181855.755915.772821.2193
264.89295.3844-4.00927.0962-3.52254.0131-0.09120.6287-0.2844-0.52350.13870.34430.5071-0.2355-0.06080.24820.02010.00480.20320.04680.318942.34156.888919.6272
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1609 through 1668 )
2X-RAY DIFFRACTION2chain 'A' and (resid 1669 through 1780 )
3X-RAY DIFFRACTION3chain 'A' and (resid 1781 through 1909 )
4X-RAY DIFFRACTION4chain 'B' and (resid 1609 through 1695 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1696 through 1780 )
6X-RAY DIFFRACTION6chain 'B' and (resid 1781 through 1878 )
7X-RAY DIFFRACTION7chain 'B' and (resid 1879 through 1911 )
8X-RAY DIFFRACTION8chain 'C' and (resid 1 through 11 )
9X-RAY DIFFRACTION9chain 'C' and (resid 12 through 16 )
10X-RAY DIFFRACTION10chain 'C' and (resid 17 through 22 )
11X-RAY DIFFRACTION11chain 'C' and (resid 23 through 34 )
12X-RAY DIFFRACTION12chain 'C' and (resid 35 through 44 )
13X-RAY DIFFRACTION13chain 'C' and (resid 45 through 56 )
14X-RAY DIFFRACTION14chain 'C' and (resid 57 through 65 )
15X-RAY DIFFRACTION15chain 'C' and (resid 66 through 76 )
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 11 )
17X-RAY DIFFRACTION17chain 'D' and (resid 12 through 16 )
18X-RAY DIFFRACTION18chain 'D' and (resid 17 through 22 )
19X-RAY DIFFRACTION19chain 'D' and (resid 23 through 34 )
20X-RAY DIFFRACTION20chain 'D' and (resid 35 through 44 )
21X-RAY DIFFRACTION21chain 'D' and (resid 45 through 49 )
22X-RAY DIFFRACTION22chain 'D' and (resid 50 through 54 )
23X-RAY DIFFRACTION23chain 'D' and (resid 55 through 59 )
24X-RAY DIFFRACTION24chain 'D' and (resid 60 through 65 )
25X-RAY DIFFRACTION25chain 'D' and (resid 66 through 71 )
26X-RAY DIFFRACTION26chain 'D' and (resid 72 through 76 )

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