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- PDB-7riw: RNA polymerase II elongation complex scaffold 2, without polyamide -

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Basic information

Entry
Database: PDB / ID: 7riw
TitleRNA polymerase II elongation complex scaffold 2, without polyamide
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
  • Non-template strand DNA
  • RNA
  • Template strand DNA
KeywordsDNA BINDING PROTEIN/DNA/RNA / RNA polymerase II / elongation complex / polyamide / small molecule / TRANSCRIPTION / DNA BINDING PROTEIN-DNA-RNA complex
Function / homology
Function and homology information


RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / : / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / termination of RNA polymerase II transcription / Formation of TC-NER Pre-Incision Complex / RNA polymerase II transcribes snRNA genes ...RNA Polymerase I Transcription Initiation / Processing of Capped Intron-Containing Pre-mRNA / : / RNA Polymerase III Transcription Initiation From Type 2 Promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / termination of RNA polymerase II transcription / Formation of TC-NER Pre-Incision Complex / RNA polymerase II transcribes snRNA genes / RNA Polymerase I Promoter Escape / TP53 Regulates Transcription of DNA Repair Genes / Estrogen-dependent gene expression / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening / RNA Polymerase II Transcription Initiation / RNA Polymerase II Transcription Initiation And Promoter Clearance / RNA-templated transcription / termination of RNA polymerase III transcription / RNA Polymerase II Pre-transcription Events / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / Dual incision in TC-NER / RNA polymerase I activity / termination of RNA polymerase I transcription / transcription initiation at RNA polymerase III promoter / tRNA transcription by RNA polymerase III / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / transcription initiation at RNA polymerase I promoter / transcription elongation by RNA polymerase I / RNA polymerase II activity / transcription-coupled nucleotide-excision repair / translesion synthesis / RNA polymerase I complex / transcription by RNA polymerase I / RNA polymerase III complex / transcription by RNA polymerase III / RNA polymerase II, core complex / transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase II promoter / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / peroxisome / cytoplasmic stress granule / ribosome biogenesis / transcription by RNA polymerase II / nucleic acid binding / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 ...RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / Pol II subunit B9, C-terminal zinc ribbon / RNA polymerase RBP11 / Zinc finger TFIIS-type signature. / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / DNA-directed RNA polymerase subunit RPABC5/Rpb10 / RNA polymerases, subunit N, zinc binding site / RNA polymerase subunit RPB10 / RNA polymerases N / 8 kDa subunit / RNA polymerases N / 8 Kd subunits signature. / DNA-directed RNA polymerase M, 15kDa subunit, conserved site / RNA polymerases M / 15 Kd subunits signature. / DNA-directed RNA polymerase subunit/transcription factor S / RNA polymerase, Rpb8 / DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase Rpb8 / RNA polymerase subunit 8 / RNA polymerase, Rpb5, N-terminal / RNA polymerase Rpb5, N-terminal domain superfamily / RNA polymerase Rpb5, N-terminal domain / DNA-directed RNA polymerase, subunit RPB6 / DNA-directed RNA polymerase subunit Rpo11 / DNA directed RNA polymerase, 7 kDa subunit / RNA polymerase archaeal subunit P/eukaryotic subunit RPABC4 / RNA polymerase, subunit H/Rpb5, conserved site / RNA polymerases H / 23 Kd subunits signature. / RNA polymerase subunit CX / DNA-directed RNA polymerase Rpb11, 13-16kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / RNA polymerases L / 13 to 16 Kd subunits signature. / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / DNA-directed RNA polymerase, 30-40kDa subunit, conserved site / DNA-directed RNA polymerase subunit Rpo3/Rpb3/RPAC1 / RNA polymerases D / 30 to 40 Kd subunits signature. / DNA-directed RNA polymerase, RBP11-like dimerisation domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerase, subunit H/Rpb5 C-terminal / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / RPB5-like RNA polymerase subunit superfamily / RNA polymerase Rpb5, C-terminal domain / Archaeal Rpo6/eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, 14-18kDa subunit, conserved site / RNA polymerases K / 14 to 18 Kd subunits signature. / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RNA polymerase Rpb1, clamp domain superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 4 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2
Similarity search - Domain/homology
DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerases I, II, and III subunit RPABC1 / DNA-directed RNA polymerases I, II, and III subunit RPABC2 / DNA-directed RNA polymerases I, II, and III subunit RPABC3 / DNA-directed RNA polymerases I, II, and III subunit RPABC5 ...DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerases I, II, and III subunit RPABC1 / DNA-directed RNA polymerases I, II, and III subunit RPABC2 / DNA-directed RNA polymerases I, II, and III subunit RPABC3 / DNA-directed RNA polymerases I, II, and III subunit RPABC5 / DNA-directed RNA polymerase II subunit RPB9 / DNA-directed RNA polymerase II subunit RPB11 / DNA-directed RNA polymerases I, II, and III subunit RPABC4
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
Model detailsRNA polymerase II, 5-guanidinohydantoin, elongation complex, DNA lesion
AuthorsOh, J. / Dervan, P.B. / Wang, D.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM102362 United States
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2022
Title: RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Authors: Oh, J. / Jia, T. / Xu, J. / Chong, J. / Dervan, P.B. / Wang, D.
History
DepositionJul 20, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 12, 2022Provider: repository / Type: Initial release
Revision 1.1Jul 27, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
R: RNA
T: Template strand DNA
A: DNA-directed RNA polymerase II subunit RPB1
B: DNA-directed RNA polymerase II subunit RPB2
C: DNA-directed RNA polymerase II subunit RPB3
E: DNA-directed RNA polymerases I, II, and III subunit RPABC1
F: DNA-directed RNA polymerases I, II, and III subunit RPABC2
H: DNA-directed RNA polymerases I, II, and III subunit RPABC3
I: DNA-directed RNA polymerase II subunit RPB9
J: DNA-directed RNA polymerases I, II, and III subunit RPABC5
K: DNA-directed RNA polymerase II subunit RPB11
L: DNA-directed RNA polymerases I, II, and III subunit RPABC4
N: Non-template strand DNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)488,76322
Polymers488,21613
Non-polymers5489
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)165.012, 222.435, 192.301
Angle α, β, γ (deg.)90.000, 99.610, 90.000
Int Tables number5
Space group name H-MC121

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Components

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RNA chain , 1 types, 1 molecules R

#1: RNA chain RNA /


Mass: 3240.012 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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DNA chain , 2 types, 2 molecules TN

#2: DNA chain Template strand DNA


Mass: 9092.825 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#13: DNA chain Non-template strand DNA


Mass: 6257.069 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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DNA-directed RNA polymerase II subunit ... , 5 types, 5 molecules ABCIK

#3: Protein DNA-directed RNA polymerase II subunit RPB1 / Polymerase / RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II ...RNA polymerase II subunit B1 / DNA-directed RNA polymerase III largest subunit / RNA polymerase II subunit B220


Mass: 191821.578 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P04050, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase II subunit RPB2 / Polymerase / RNA polymerase II subunit 2 / B150 / DNA-directed RNA polymerase II 140 kDa polypeptide


Mass: 138937.297 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P08518, DNA-directed RNA polymerase
#5: Protein DNA-directed RNA polymerase II subunit RPB3 / Polymerase / RNA polymerase II subunit B3 / B44.5 / DNA-directed RNA polymerase II 45 kDa polypeptide


Mass: 35330.457 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P16370
#9: Protein DNA-directed RNA polymerase II subunit RPB9 / Polymerase / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA- ...RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9


Mass: 14308.161 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P27999
#11: Protein DNA-directed RNA polymerase II subunit RPB11 / Polymerase / RNA polymerase II subunit B11 / B13.6 / DNA-directed RNA polymerase II 13.6 kDa polypeptide


Mass: 13633.493 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P38902

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DNA-directed RNA polymerases I, II, and III subunit ... , 5 types, 5 molecules EFHJL

#6: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC1 / RNA polymerase / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 ...RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / and III 27 kDa polypeptide


Mass: 25117.094 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20434
#7: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 ...RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 kDa polypeptide


Mass: 17931.834 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20435
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / RNA polymerase / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I / and III 14.5 kDa polypeptide


Mass: 16525.363 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P20436
#10: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / RNA polymerase / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I / and III 8.3 kDa polypeptide


Mass: 8290.732 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P22139
#12: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase / RNA polymerases I / II / and III subunit ABC4 / ABC10-alpha


Mass: 7729.969 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / References: UniProt: P40422

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Non-polymers , 2 types, 9 molecules

#14: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#15: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn

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Details

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: 3.56 Å3/Da / Density % sol: 65.48 % / Mosaicity: 0.28 °
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 390mM (NH4)2HPO4/NaH2PO4, pH 6.5, 5mM dioxane, 5mM DTT, 10-12% PEG6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 3, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.17→48.95 Å / Num. obs: 115583 / % possible obs: 100 % / Redundancy: 7.7 % / CC1/2: 0.986 / Rmerge(I) obs: 0.41 / Rpim(I) all: 0.158 / Rrim(I) all: 0.439 / Net I/σ(I): 5.3
Reflection shell
Resolution (Å)Num. unique obsCC1/2Diffraction-ID
3.17-3.2257440.2291
17.36-48.956900.9971

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Processing

Software
NameVersionClassification
Aimless0.7.3data scaling
PHENIX1.13refinement
PDB_EXTRACT3.27data extraction
MOSFLMdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7RIM

7rim


Resolution: 3.2→47.805 Å / SU ML: 0.45 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 31.71 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2646 1944 1.73 %
Rwork0.2277 110282 -
obs0.2284 112226 99.82 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 346.29 Å2 / Biso mean: 100.2841 Å2 / Biso min: 34.79 Å2
Refinement stepCycle: final / Resolution: 3.2→47.805 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28018 1051 9 0 29078
Biso mean--128.85 --
Num. residues----3599
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.2-3.280.38481380.3945779599
3.28-3.36870.44951400.36997910100
3.3687-3.46780.35721370.33957811100
3.4678-3.57970.34461390.30627885100
3.5797-3.70760.31211380.27747838100
3.7076-3.85590.25971390.26487888100
3.8559-4.03130.28811380.23977836100
4.0313-4.24380.28981390.21487865100
4.2438-4.50950.25041390.19067899100
4.5095-4.85730.20811390.18477877100
4.8573-5.34560.26191390.19487923100
5.3456-6.11770.28531380.21037871100
6.1177-7.70250.25151400.21287938100
7.7025-47.8050.17741410.1728794699
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)
17.2725.1099-4.97153.6224-3.54493.5285-0.335-0.2202-0.8523-0.1271-0.7306-1.2718-0.27620.7060.97640.9773-0.0019-0.08490.82710.1010.84513.811612.934539.3757
22.59460.60562.86934.35885.03097.66351.12940.7923-1.58080.83823.1003-4.84921.37414.1268-4.00011.73970.2966-0.7632.7407-0.33633.548262.11612.978380.337
34.1212-4.37555.84164.6833-6.2448.3136-1.5402-1.6412-0.1041.61840.66190.8171-0.6698-1.29280.60242.5587-0.0350.04522.0008-0.44992.034745.399710.130975.2629
44.10372.95634.39564.93545.82877.2267-0.52610.35820.999-1.5229-0.0360.5033-2.06841.50070.70181.8487-0.0013-0.21521.28380.44672.062436.10912.984658.324
53.71681.19431.24552.4735-3.70578.392-0.41650.11910.2510.45120.1222-0.43020.3397-0.3490.28691.2598-0.1438-0.12930.9445-0.04070.661415.08710.595138.0928
61.0041-0.23740.29510.5965-0.12561.0740.04830.21850.37610.0085-0.0896-0.34610.05080.4538-0.01190.8061-0.0527-0.27520.64910.09290.718333.3132-0.593135.8694
70.5058-0.39150.10450.4421-0.24480.74090.203-0.1581-0.13610.41870.0561-0.08310.5419-0.1406-0.19691.1535-0.1394-0.28920.53730.07050.5006-0.7064-12.814963.0634
80.32140.07030.49612.3943-1.50532.29110.0657-0.0817-0.16880.24960.11050.19170.3384-0.0973-0.21081.64950.0606-0.51310.54360.0180.731518.0591-44.94264.431
9-0.03360.35270.22111.86841.872.15890.2576-0.06390.06780.7159-0.0669-0.17680.4937-0.1038-0.11141.79170.1019-0.47470.6948-0.11610.786826.42017.706899.2494
100.3292-0.50260.3951.2430.03161.8482-0.0185-0.13420.13480.6350.0307-0.3123-0.22850.1439-0.08961.28440.0961-0.52880.5987-0.11370.691329.3921-11.962766.1915
111.204-0.12660.42150.94260.54881.0002-0.06920.20650.30890.03110.1092-0.1774-0.56940.116-0.08360.8471-0.1877-0.06090.34580.13880.5133.895939.30544.8807
123.59291.332-0.16654.45231.08233.8926-0.31380.15410.0944-0.090.0269-0.13990.25420.3152-0.181.1803-0.0875-0.25340.5163-0.14340.727926.691436.565478.0862
130.4473-0.1920.94270.54120.33212.38860.09040.09060.33350.35460.0212-0.20380.0050.336-0.02991.0228-0.2191-0.19860.52630.03090.682124.355740.051668.8502
140.58160.16010.32450.950.31931.30880.0401-0.11690.030.37830.0436-0.1174-0.1804-0.198-0.0270.4484-0.0184-0.0230.35270.07770.2966-4.637426.568457.3607
153.92941.0815-1.93392.3756-0.11033.7469-0.0952-0.0490.2235-0.53670.1195-0.4861-0.24070.85150.02860.7733-0.1654-0.06520.69710.07590.47949.017717.755511.9273
160.7674-0.3683-0.20510.4253-0.09251.00880.05630.1002-0.00930.095-0.0462-0.14380.14960.0641-0.02870.6046-0.1003-0.17690.31270.08170.4017.1093-1.55836.1724
175.66510.2281-0.73864.7702-1.54452.6866-0.05160.2653-0.3342-0.18030.14320.58640.0248-0.21840.03870.3536-0.5255-0.07421.03980.21810.4886-43.5126-16.675930.7075
180.3673-0.34440.17780.90170.10220.784-0.04050.191-0.1684-0.4166-0.03440.10250.2519-0.18380.04220.8911-0.1259-0.26580.75530.05890.4872-24.4055-1.783415.1247
191.32080.56420.19971.08530.83831.38270.23730.4005-0.092-0.9261-0.1040.71340.3562-0.3702-0.15710.64590.057-0.20880.70570.07990.3421-28.587510.402815.5241
201.47820.6558-0.9144.32840.43333.66930.2465-0.551-0.60410.8708-0.18090.25870.8158-0.6954-0.15560.8624-0.3551-0.17460.78080.17480.5658-33.9577-15.12850.9608
213.8402-3.32510.97939.91020.50082.1132-0.0721-0.4782-0.57020.79360.20530.77180.2563-0.8663-0.02111.0774-0.3601-0.22991.1050.1940.9666-40.3742-25.892648.8975
221.9147-0.9090.13411.8924-0.55250.9510.82980.4333-0.4247-0.6444-0.31490.43240.6899-0.3949-0.1421.2376-0.2795-0.63670.87860.06120.632-30.9286-19.063820.0041
232.41990.73261.04240.26170.73476.3594-0.4793-0.86580.10120.5670.32340.21060.17850.959-0.05862.1980.499-1.10271.4057-0.20930.943945.5226-20.530697.3849
244.8296-0.84291.18575.19914.19089.1830.13390.4916-0.73030.80370.0606-0.38040.98950.7655-0.2611.63450.4554-0.48551.2385-0.24621.441754.7456-32.84882.8655
250.51320.0923-0.40530.1871-0.39550.937-0.07480.43270.70480.60030.1093-0.6438-0.72621.02150.39942.04370.123-0.87451.4941-0.11861.158156.2027-17.723487.6548
260.37350.42810.04150.55240.06540.01470.41490.2852-0.2898-0.1082-0.4332-0.11660.23780.8358-0.23431.3738-0.3024-0.49742.14680.13661.893464.5013-11.946587.9197
272.76060.1943-0.54811.68191.95176.177-0.1434-0.40060.3660.13720.7895-0.7875-1.09141.44371.19611.58610.2035-1.27341.0878-0.05820.97152.8928-12.638583.8932
280.7819-0.0380.50791.09890.05653.70340.0188-0.0067-0.09820.0702-0.1426-0.3340.45260.6945-0.47271.35180.3552-1.05710.7576-0.04950.872244.8972-24.745764.9642
293.1272.02781.85691.90182.15894.6733-0.49220.14970.3618-0.0690.0506-0.325-0.05830.24650.18731.66170.3181-0.74960.65840.01170.855840.7649-23.650469.3556
300.13790.11690.02820.09780.02320.005-0.08010.0725-0.9942-0.33840.1704-0.21320.3831-0.04440.00841.73250.5122-0.75272.0081-0.05662.562951.8686-31.531938.5508
311.76952.2287-0.45993.2761-0.37094.37470.06790.0691-0.83510.2797-0.1576-0.51880.8430.6254-0.05631.32790.5002-0.34880.86710.04340.557135.8789-38.772443.2728
325.31850.63871.73184.61181.77558.3819-0.22810.7881-0.23410.38950.11790.1039-0.26950.81440.11590.6360.1399-0.11050.617-0.01320.349525.6799-29.225530.2431
338.6680.74030.82442.021-0.50576.9731-0.44970.53670.17190.0007-0.1469-0.2016-0.1289-0.37850.6531.16440.246-0.24081.1509-0.05020.726720.1702-36.115519.147
347.5577-5.60524.61136.7743-5.40895.02820.33330.4679-0.3936-0.0003-0.45040.3980.3221-0.18840.14811.5520.1448-0.49410.7117-0.11840.694819.1201-35.336827.0255
358.22942.9794-3.76686.218-3.55382.6593-0.07280.4927-1.1486-0.30620.34360.00470.6673-0.3184-0.4351.68750.3597-0.15370.8114-0.04090.766227.5875-40.21828.2461
360.4808-0.6894-1.5821.00342.20075.45770.6584-0.07940.375-0.6390.2029-0.907-0.54740.7966-0.79631.72540.0822-0.26830.9874-0.11030.984240.1996-29.928840.7738
376.8892-0.6565-2.17192.9552.85633.10630.3746-0.01010.0243-0.10060.15070.0849-0.46960.6105-0.35911.24230.3511-0.30820.9366-0.3871.137538.7679-35.965138.8019
384.6922-1.02683.40193.6217-4.56379.6823-0.31761.1345-1.0947-0.1993-0.71160.32081.11460.02240.92121.07590.2595-0.31010.744-0.25080.712527.837-40.647737.8222
394.3531-1.5411-2.92354.05121.11174.9761-0.0091-0.3387-0.49880.9177-0.03820.33610.36960.0119-0.02041.5304-0.3847-0.12750.89130.43531.2328-25.2945-48.868765.5205
403.43871.5723-0.85692.0399-1.0432.2038-0.1551-0.6102-0.13390.61550.3699-0.0508-0.0254-0.3630.09261.4466-0.3475-0.24940.92910.2370.96-23.3066-33.876165.731
416.0217-5.52985.87395.7548-5.71625.98910.2013-0.2689-1.30880.1424-0.19830.73631.0636-1.00870.07622.2859-0.7726-0.08471.63980.15361.6366-24.8025-54.206274.6795
421.5369-1.77061.56014.7105-1.85271.6192-0.0735-0.471-0.27820.5540.20170.17650.0186-0.5095-0.26791.2109-0.3647-0.12550.65690.15680.957-27.691-41.985963.4815
433.0263.3394-5.24943.8794-6.09479.56910.01450.2496-0.2799-1.4435-0.2760.45130.44750.17690.17331.5421-0.0873-0.39350.92690.0371.0002-20.1113-48.565441.9153
444.91070.1443-2.01077.8345-2.55141.6154-0.36481.3496-0.8281-1.19150.41440.83660.8319-0.7708-0.01241.8066-0.8678-0.27441.16880.00131.4318-30.9468-50.615145.8058
452.18790.1232-2.28211.5432-0.78493.1118-0.4892-0.4176-0.91440.4055-0.0436-0.72430.46580.28880.36481.9861-0.4209-0.42940.82460.52011.1114-13.1705-47.66963.5879
467.10661.0409-2.42956.2039-1.00566.6669-0.1661-0.6605-1.02081.0154-0.1214-0.74030.40060.46650.64231.4029-0.5946-0.33170.73140.37140.7677-16.3314-43.932165.0386
477.59493.7959-5.93297.4762-4.48278.178-0.42460.9558-0.2381-0.65770.76240.62370.5586-0.7116-0.15771.8208-0.4242-0.57541.78390.92611.774-13.4293-55.683361.4154
485.6909-3.2132-1.99967.21161.26588.4564-0.0498-0.0314-0.53740.13960.07350.89310.4648-1.0631-0.10031.4538-0.4663-0.37980.90810.41190.8419-27.3073-48.380157.1465
490.5360.6624-0.91634.6248-0.35841.70910.2061-0.0732-0.26250.33230.067-0.3727-0.16450.5892-0.24941.6677-0.0626-0.5250.7405-0.17610.877830.074736.7949103.2304
503.1024-0.4471-2.50463.92751.07563.46410.2293-0.301-0.3662-0.2887-0.03610.15850.1290.2761-0.21090.9910.0171-0.15530.6539-0.03560.4146-1.718924.302193.7648
510.2051-0.03340.32450.73040.0770.56690.1487-0.17480.31690.0723-0.10670.5169-0.2097-0.0545-0.4301-0.1452-0.1960.16960.61330.1920.4152-32.000312.980533.0591
521.25590.28070.25070.47470.08480.0512-0.1694-0.1024-0.02590.2308-0.24010.26730.0567-0.0939-0.8182-0.1619-0.28850.39361.04310.26990.5876-36.84988.175238.8447
532.0850.8547-0.57081.13450.13980.49010.20620.01380.21740.07840.027-0.0970.07710.12660.0825-0.0487-0.02850.0170.59660.21020.4341-26.23989.763237.3563
546.7538-0.20743.88082.3301-1.60967.34380.01190.42890.7598-0.49810.1596-0.1732-0.30990.464-0.02690.2539-0.1381-0.00250.52860.11510.6738-18.543127.203727.0124
552.53931.68351.15411.81421.7882.8608-0.2470.4392-0.36980.30530.0351-0.3089-0.5689-0.08270.1240.9571-0.0156-0.23130.75160.05990.5116-9.2723-8.725520.1589
562.32361.5515-0.10438.0885-4.54514.0920.43520.0366-0.3753-0.2865-0.0634-0.8423-0.0522-0.2773-0.20740.9493-0.1185-0.17970.7288-0.06330.6386-12.6069-25.294215.8686
570.46630.7918-0.96192.7298-1.93772.0760.3112-0.1323-0.52340.568-0.1486-0.64630.34540.3952-0.1011.6076-0.0192-0.32541.0837-0.02251.3193-10.627-43.477428.694
582.1875-0.84881.89341.3911-1.47084.24360.10140.0909-0.12910.18250.1373-0.11660.38890.0560.37311.029-0.0864-0.88720.6099-0.04140.4522-15.4904-27.45322.53
590.9580.071-0.45473.12660.75731.740.1745-0.0199-0.36870.4128-0.50610.39860.4475-0.6247-0.35511.2908-0.362-0.7460.713-0.00620.9668-25.3712-28.455729.565
600.023-0.2637-0.00552.963-0.18380.31920.0561-0.1786-0.194-0.75260.33090.99550.2171-0.36350.11741.4776-0.29-0.86110.83910.08180.819-22.5709-36.726331.2358
618.99386.5625-4.0685.4376-3.45617.2050.03690.21-0.6004-0.8819-0.0207-0.0440.4377-0.0632-0.0171.0713-0.3012-0.0670.40480.17630.4193-9.4583-18.839628.33
627.56423.28211.37477.20343.69393.84980.22790.4825-1.3158-0.06120.2348-0.24720.6796-0.2428-0.44671.0843-0.2704-0.37060.7639-0.09670.747-18.1217-37.574426.3788
633.3425-0.4309-0.22970.5045-0.57720.77760.45340.305-0.38110.0880.24620.46540.6824-0.49870.13340.6424-0.8768-0.47730.8351-0.09470.7722-38.5298-24.168422.6975
649.02883.20041.89123.9927-1.76172.72971.0502-1.22792.04480.37620.01450.6111-2.7496-1.3103-0.93942.85430.4396-0.05371.1062-0.10841.0824-7.409532.382712.1331
655.39355.6992-4.86486.8698-4.1138.4761-0.792-0.6876-0.9833-0.1438-0.0947-0.921.06051.58610.87011.76730.044-0.42411.93531.12951.8649-4.064632.42225.3065
666.2112-1.01043.53620.173-0.56672.0229-0.5760.4914-0.2714-0.37040.54850.19520.0784-0.17130.16382.5734-0.1356-0.17891.94-0.04192.5243-0.488637.96348.733
674.62374.2895-0.70085.241-2.45822.6719-0.6766-0.14180.6131-0.25560.1170.2176-0.40030.75610.6260.90490.0431-0.32360.88740.24330.4401-8.288819.000712.0991
686.76124.3252-3.3136.6931-5.28834.17330.82640.00150.6231-0.13510.95241.61660.0013-1.2868-1.62992.3117-0.4485-0.89581.57730.17721.816327.900511.330662.4224
693.0342-1.20392.98194.0972.4016.6805-1.9361.40121.4145-2.69820.7701-0.6924-3.11122.56510.98812.0991-0.3866-0.21321.80390.19862.522445.922410.964865.9112
705.19921.86485.07972.1591.88094.9607-0.5825-1.8183-0.08882.16750.240.6676-0.8483-1.4187-0.04942.1598-0.37160.24872.7838-0.27412.246454.442211.432282.7033
716.73939.14546.99721.999929.53530.2442-0.7644-4.0232-3.5717-2.7391-5.30363.90164.83772.45772.52940.51030.57262.34451.22632.136465.9177.420287.2942
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 2 through 10 )R2 - 10
2X-RAY DIFFRACTION2chain 'T' and (resid 2 through 6 )T2 - 6
3X-RAY DIFFRACTION3chain 'T' and (resid 7 through 11 )T7 - 11
4X-RAY DIFFRACTION4chain 'T' and (resid 12 through 16 )T12 - 16
5X-RAY DIFFRACTION5chain 'T' and (resid 17 through 27 )T17 - 27
6X-RAY DIFFRACTION6chain 'A' and (resid 3 through 552 )A3 - 552
7X-RAY DIFFRACTION7chain 'A' and (resid 553 through 889 )A553 - 889
8X-RAY DIFFRACTION8chain 'A' and (resid 890 through 1077 )A890 - 1077
9X-RAY DIFFRACTION9chain 'A' and (resid 1078 through 1269 )A0
10X-RAY DIFFRACTION10chain 'A' and (resid 1270 through 1446 )A0
11X-RAY DIFFRACTION11chain 'B' and (resid 20 through 242 )B20 - 242
12X-RAY DIFFRACTION12chain 'B' and (resid 243 through 307 )B243 - 307
13X-RAY DIFFRACTION13chain 'B' and (resid 308 through 434 )B308 - 434
14X-RAY DIFFRACTION14chain 'B' and (resid 435 through 852 )B435 - 852
15X-RAY DIFFRACTION15chain 'B' and (resid 853 through 956 )B853 - 956
16X-RAY DIFFRACTION16chain 'B' and (resid 957 through 1221 )B957 - 1221
17X-RAY DIFFRACTION17chain 'C' and (resid 2 through 26 )C2 - 26
18X-RAY DIFFRACTION18chain 'C' and (resid 27 through 96 )C27 - 96
19X-RAY DIFFRACTION19chain 'C' and (resid 97 through 175 )C97 - 175
20X-RAY DIFFRACTION20chain 'C' and (resid 176 through 207 )C176 - 207
21X-RAY DIFFRACTION21chain 'C' and (resid 208 through 227 )C208 - 227
22X-RAY DIFFRACTION22chain 'C' and (resid 228 through 268 )C228 - 268
23X-RAY DIFFRACTION23chain 'E' and (resid 4 through 59 )E4 - 59
24X-RAY DIFFRACTION24chain 'E' and (resid 60 through 71 )E60 - 71
25X-RAY DIFFRACTION25chain 'E' and (resid 72 through 89 )E72 - 89
26X-RAY DIFFRACTION26chain 'E' and (resid 90 through 103 )E90 - 103
27X-RAY DIFFRACTION27chain 'E' and (resid 104 through 146 )E104 - 146
28X-RAY DIFFRACTION28chain 'E' and (resid 147 through 182 )E147 - 182
29X-RAY DIFFRACTION29chain 'E' and (resid 183 through 215 )E183 - 215
30X-RAY DIFFRACTION30chain 'F' and (resid 69 through 73 )F69 - 73
31X-RAY DIFFRACTION31chain 'F' and (resid 74 through 86 )F74 - 86
32X-RAY DIFFRACTION32chain 'F' and (resid 87 through 102 )F87 - 102
33X-RAY DIFFRACTION33chain 'F' and (resid 103 through 116 )F103 - 116
34X-RAY DIFFRACTION34chain 'F' and (resid 117 through 126 )F117 - 126
35X-RAY DIFFRACTION35chain 'F' and (resid 127 through 132 )F127 - 132
36X-RAY DIFFRACTION36chain 'F' and (resid 133 through 142 )F133 - 142
37X-RAY DIFFRACTION37chain 'F' and (resid 143 through 147 )F143 - 147
38X-RAY DIFFRACTION38chain 'F' and (resid 148 through 154 )F148 - 154
39X-RAY DIFFRACTION39chain 'H' and (resid 2 through 16 )H2 - 16
40X-RAY DIFFRACTION40chain 'H' and (resid 17 through 30 )H17 - 30
41X-RAY DIFFRACTION41chain 'H' and (resid 31 through 36 )H31 - 36
42X-RAY DIFFRACTION42chain 'H' and (resid 37 through 60 )H37 - 60
43X-RAY DIFFRACTION43chain 'H' and (resid 61 through 82 )H61 - 82
44X-RAY DIFFRACTION44chain 'H' and (resid 83 through 94 )H83 - 94
45X-RAY DIFFRACTION45chain 'H' and (resid 95 through 118 )H95 - 118
46X-RAY DIFFRACTION46chain 'H' and (resid 119 through 127 )H119 - 127
47X-RAY DIFFRACTION47chain 'H' and (resid 128 through 139 )H128 - 139
48X-RAY DIFFRACTION48chain 'H' and (resid 140 through 146 )H140 - 146
49X-RAY DIFFRACTION49chain 'I' and (resid 2 through 52 )I2 - 52
50X-RAY DIFFRACTION50chain 'I' and (resid 53 through 119 )I53 - 119
51X-RAY DIFFRACTION51chain 'J' and (resid 1 through 31 )J1 - 31
52X-RAY DIFFRACTION52chain 'J' and (resid 32 through 43 )J32 - 43
53X-RAY DIFFRACTION53chain 'J' and (resid 44 through 56 )J44 - 56
54X-RAY DIFFRACTION54chain 'J' and (resid 57 through 65 )J57 - 65
55X-RAY DIFFRACTION55chain 'K' and (resid 1 through 9 )K1 - 9
56X-RAY DIFFRACTION56chain 'K' and (resid 10 through 23 )K10 - 23
57X-RAY DIFFRACTION57chain 'K' and (resid 24 through 29 )K24 - 29
58X-RAY DIFFRACTION58chain 'K' and (resid 30 through 39 )K30 - 39
59X-RAY DIFFRACTION59chain 'K' and (resid 40 through 52 )K40 - 52
60X-RAY DIFFRACTION60chain 'K' and (resid 53 through 62 )K53 - 62
61X-RAY DIFFRACTION61chain 'K' and (resid 63 through 69 )K63 - 69
62X-RAY DIFFRACTION62chain 'K' and (resid 70 through 82 )K70 - 82
63X-RAY DIFFRACTION63chain 'K' and (resid 83 through 114 )K83 - 114
64X-RAY DIFFRACTION64chain 'L' and (resid 28 through 36 )L28 - 36
65X-RAY DIFFRACTION65chain 'L' and (resid 37 through 41 )L37 - 41
66X-RAY DIFFRACTION66chain 'L' and (resid 42 through 51 )L42 - 51
67X-RAY DIFFRACTION67chain 'L' and (resid 52 through 70 )L52 - 70
68X-RAY DIFFRACTION68chain 'N' and (resid 3 through 7 )N3 - 7
69X-RAY DIFFRACTION69chain 'N' and (resid 8 through 12 )N8 - 12
70X-RAY DIFFRACTION70chain 'N' and (resid 13 through 17 )N13 - 17
71X-RAY DIFFRACTION71chain 'N' and (resid 18 through 18 )N18

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