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- PDB-7riq: RNA polymerase II elongation complex scaffold 1 without polyamide -

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Basic information

Entry
Database: PDB / ID: 7riq
TitleRNA polymerase II elongation complex scaffold 1 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 / unnatural base / TPT3 / NAM / 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 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)488,45822
Polymers487,91113
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)167.849, 223.467, 193.032
Angle α, β, γ (deg.)90.000, 100.300, 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: 2934.831 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: 3.65 Å3/Da / Density % sol: 66.3 % / Mosaicity: 0.24 °
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: 8.2.1 / 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: 2.96→49.27 Å / Num. obs: 145165 / % possible obs: 99.9 % / Redundancy: 7.6 % / Biso Wilson estimate: 79.46 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.309 / Rpim(I) all: 0.12 / Rrim(I) all: 0.331 / Net I/σ(I): 5.4 / Num. measured all: 1103679 / Scaling rejects: 262
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.96-3.017.74.6875534871810.2721.8075.0250.499.7
16.21-49.276.40.08456508760.9910.0350.09119.295.4

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Processing

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

7rim


Resolution: 3→48.152 Å / SU ML: 0.45 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 32.32 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2644 1919 1.38 %
Rwork0.2132 137346 -
obs0.2139 139265 99.79 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 388.95 Å2 / Biso mean: 110.2222 Å2 / Biso min: 29.81 Å2
Refinement stepCycle: final / Resolution: 3→48.152 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28115 1131 9 0 29255
Biso mean--183.56 --
Num. residues----3614
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3-3.0750.41451350.4039970399
3.075-3.15810.34831370.34649803100
3.1581-3.2510.39991370.34169805100
3.251-3.3560.37531370.30539786100
3.356-3.47590.35251350.27579787100
3.4759-3.6150.3121370.2539746100
3.615-3.77950.29761380.23139862100
3.7795-3.97860.25051370.21329781100
3.9786-4.22780.2581370.18819803100
4.2278-4.5540.23071370.16989807100
4.554-5.01180.21691380.16179840100
5.0118-5.7360.24561370.18399818100
5.736-7.22290.24221380.20999867100
7.2229-48.1520.21221390.17179938100
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)
12.6022-0.62551.21189.1935-0.6466.99450.07220.1055-0.48590.2101-0.926-0.7304-0.35591.42120.74970.59760.0368-0.08550.79350.04670.648213.523212.802339.4784
23.08430.76613.29633.19371.82849.1281-0.0081.5418-0.8919-0.9780.42580.498-0.68870.7205-0.81182.16740.2954-0.89452.4744-0.20232.274857.804911.975981.878
33.6552-1.12790.83271.01670.00641.7733-1.1129-0.00021.14870.1140.025-0.7737-1.5370.51651.12411.4309-0.2592-0.35020.89730.0771.029623.657911.729647.9704
41.43680.10940.2070.7733-0.11350.98230.1015-0.02210.08230.0792-0.0999-0.26470.16140.3721-0.01420.67020.0059-0.16980.51820.03690.556925.6425-5.872638.8078
50.3601-0.3469-0.04890.66890.02780.71010.2134-0.1552-0.07780.2567-0.0209-0.09060.243-0.0863-0.20150.895-0.0833-0.15560.50470.03160.47432.5934-3.527969.4663
60.47330.3950.36632.3981-1.0941.60130.1307-0.1667-0.20340.0370.09570.22070.5875-0.0904-0.17431.39320.0934-0.37240.61960.04460.799918.1319-38.622366.3748
7-0.04690.59390.34675.00353.04331.59640.1154-0.12010.06050.52040.0547-0.28420.20590.1602-0.14531.77540.1321-0.37110.7879-0.10580.868726.77556.602102.2951
81.0312-0.2581-0.0651.1960.02292.47830.0112-0.12220.20570.38410.0641-0.3830.10230.6013-0.05070.94390.1285-0.38510.5701-0.0550.805632.4085-11.7157.9483
92.44480.45840.04981.2241-0.06451.3039-0.20680.2740.6724-0.25320.1425-0.0081-0.6550.09380.04380.8537-0.1470.01590.39390.09170.65360.479142.549541.134
101.1422-0.9541.15792.69640.19473.3415-0.5012-0.12410.39231.43910.6238-0.8834-0.07320.72470.11170.8325-0.34530.10530.378-0.01980.730918.91829.241365.603
110.9734-0.46641.33760.66540.27673.4126-0.06960.09170.32010.30140.0955-0.1879-0.44720.4544-0.05770.8825-0.2362-0.06150.5383-0.02730.762924.499140.184772.2357
120.28760.61190.12432.0496-0.65562.3099-0.0490.0527-0.04470.12230.0316-0.36680.04710.0860.0440.3432-0.01880.00580.41310.02890.46137.835326.986248.649
130.61650.27850.60711.24671.27722.54770.0849-0.16130.03080.3405-0.0345-0.021-0.1064-0.2979-0.02910.5452-0.01480.08510.40230.07270.3885-9.913826.417760.7523
142.18720.9317-1.27991.4715-0.71562.9319-0.02870.33930.0349-0.28410.0928-0.3358-0.23260.4188-0.06980.5846-0.11590.02470.56850.04820.44665.132915.728417.3858
151.1619-0.41960.12320.8182-0.05260.88590.0660.18710.09920.095-0.0569-0.21530.160.1551-0.00720.5066-0.0994-0.09370.3630.06530.40138.5947-3.415637.2898
163.8634-1.76650.35618.775-2.43725.63570.0304-0.3465-0.20410.1055-0.14490.4291-0.1406-0.14980.16970.5936-0.3959-0.13061.06770.16320.7221-43.8213-16.911930.4436
170.59320.2069-0.24041.9136-0.46451.42150.09450.2001-0.0936-0.3567-0.0310.26440.1349-0.3707-0.11150.5848-0.0593-0.16760.69680.05550.5074-27.60891.503720.1487
182.4573-0.77410.94356.61080.7720.65270.6226-0.345-0.78741.1902-0.59660.31240.3235-0.5247-0.00470.9607-0.3859-0.15271.1270.25690.8947-39.5537-20.858350.3222
192.8714-1.1232-0.08363.0804-0.4631.140.72710.8332-0.405-0.7826-0.61470.26270.5722-0.7691-0.0911.1837-0.2319-0.42040.95680.01920.7416-31.1127-19.130619.7496
202.9366-0.218-2.00950.6811-0.34192.2725-0.6152-0.87990.02280.94490.4514-0.22330.3931.05930.14651.62180.3226-0.62771.2935-0.0791.043146.2287-22.68895.5147
210.7589-0.52070.04293.7851-1.99792.52470.41320.25550.53221.2618-0.1309-1.67820.14831.1414-0.38121.2499-0.0497-0.63891.4457-0.24541.521558.0755-13.098686.771
221.2398-0.303-0.45061.97371.04983.5525-0.1531-0.3312-0.11890.61120.0332-0.5389-0.03620.78710.10971.18720.2893-0.51870.8434-0.02580.917643.6066-22.593370.8215
230.00310.0121-0.01110.0546-0.03950.0355-0.1563-0.0131-0.2529-0.15010.3513-0.44250.05950.3455-0.14721.78450.3333-0.28052.17590.17171.917651.6424-31.592338.9441
244.1391-0.54980.80122.9685-0.3971.44660.00590.2467-0.52290.3882-0.073-0.11441.05930.77110.08060.87830.2718-0.12620.5068-0.04560.437529.9643-33.425236.1917
252.0224-0.1439-0.35542.02-0.46716.5237-0.33821.35480.1604-0.3692-0.2893-0.02080.1489-0.06140.72881.42080.2966-0.26080.9846-0.03250.758820.2017-36.172119.2824
265.7633-5.02015.34728.3313-5.19579.1328-0.07190.0435-0.64920.4442-0.45460.5490.7060.07840.49211.30420.0128-0.20560.76070.11960.719318.9716-35.369327.122
271.5704-1.486-1.34141.93560.3495.45990.0225-0.1682-0.1444-0.47210.5156-0.26640.12040.9605-0.64621.23270.3626-0.10830.8358-0.1560.755236.1871-34.435937.0345
288.50074.10594.03449.1772-4.98868.6547-0.24420.3511-0.57980.1758-0.18660.240.63030.2480.39471.33920.3145-0.21880.679-0.01250.896227.6641-40.673837.8207
293.1108-0.6037-1.45814.95821.47933.0680.5227-0.4269-0.74660.8623-0.2751-0.03030.17550.1068-0.17771.4891-0.2543-0.24271.04340.55171.5006-25.827-49.514264.973
302.29111.3352-1.26468.7298-2.16681.9512-0.2167-0.8023-0.38610.3971-0.1941-0.22060.2053-0.71280.3631.0147-0.391-0.15350.99750.26770.8682-23.7733-34.419965.4726
314.3985-6.26953.58149.3197-5.44713.3220.4725-1.1717-0.94060.8399-0.29040.26770.6381-0.0144-0.16752.3135-0.8182-0.39871.67160.65361.6725-25.0751-54.82674.3587
321.084-0.82190.92063.8147-1.79161.2727-0.2151-0.68220.07660.1348-0.08950.1424-0.09130.15610.03090.8787-0.73720.08030.5220.57110.9845-28.2838-42.504963.0348
330.78632.5632-2.34879.5932-7.20567.1136-0.23280.2607-0.3261-1.15670.39110.55340.30730.0511-0.19491.5844-0.0253-0.30930.89670.02160.9205-20.4692-48.929441.5911
341.88940.19960.03485.49920.9280.1566-0.62171.1021-1.0614-1.1680.34750.58050.2095-0.40730.44261.3248-0.9838-0.44020.8779-0.02421.6039-31.1616-50.991645.1947
351.52750.1796-1.52672.01220.48981.7685-0.167-0.4222-0.78870.7417-0.0978-0.35270.77190.41130.44431.7407-0.7499-0.41460.79990.96951.131-14.2774-47.105963.0638
363.76372.0687-2.07694.31120.17891.6971-0.0531-0.5303-0.9281-0.22080.09070.67370.5005-0.19380.00961.9041-0.0099-0.19691.2860.65521.8212-14.3446-55.655462.0955
375.6585-2.8971-3.1027.17132.99489.6392-0.2287-0.1991-0.7588-0.1105-0.37630.4850.6062-1.03120.64261.3041-0.5341-0.21590.91190.27841.1268-27.9309-48.74556.6009
380.27620.7023-0.66913.7034-0.9521.71250.31920.0497-0.22550.7783-0.1635-0.3295-0.0270.6081-0.15321.5706-0.0108-0.33340.7145-0.23060.91629.27236.9335103.7998
393.1684-1.1779-0.94534.29861.78818.52540.3872-0.5593-0.2345-0.2156-0.22720.2396-0.57051.5568-0.18140.7348-0.1361-0.00610.72620.00560.4597-6.645727.218292.8155
407.0253-3.7272-0.85758.17260.56842.9617-0.0052-0.8403-0.13940.28510.3545-0.71140.14910.1499-0.33040.99160.0087-0.01350.88320.00760.55031.254321.017595.4799
412.05590.8697-0.60524.2955-1.13850.9630.1486-0.00360.09910.03350.37710.2973-0.36010.1278-0.1270.0963-0.48770.27170.68290.22480.1943-27.55227.002529.5076
424.01050.6399-3.71367.46291.5914.0921-0.1615-0.15850.9534-0.2173-0.19960.6046-0.5493-0.55540.25820.41310.13460.13660.62840.09320.7127-35.286318.656334.5195
434.51031.1911-0.18471.6682-0.51323.3634-0.03570.12530.60150.2231-0.0870.3092-0.1225-0.6446-0.020.22230.00630.09860.95460.090.5366-33.068411.022838.4826
441.99670.66793.48921.98670.10269.3105-0.39690.31641.1897-0.65560.57420.2232-0.28150.4246-0.15210.3156-0.03960.12410.56570.03530.7319-19.010227.408827.224
451.0151.45480.016.86470.72951.06580.38310.3272-0.47030.0894-0.2686-0.84010.7287-0.1256-0.10220.74430.0053-0.2320.7331-0.06630.6439-12.3833-24.394120.2755
463.86032.16171.3457.02290.67053.45720.31320.0161-0.527-0.16590.01890.3520.5629-0.4206-0.29581.1132-0.1645-0.36030.64590.02210.6238-19.659-30.003528.9873
476.6284-4.24860.04274.7718-0.60982.5940.45220.5043-1.37730.0398-0.08381.26970.8624-0.818-0.32260.8511-0.4858-0.17720.97180.05390.8949-36.5183-27.353522.626
482.32780.14761.08142.9019-2.60872.9860.6762-1.06540.78510.52870.39630.1052-1.01160.0561-1.02462.55830.137-0.31471.2562-0.12221.5819-7.578732.932312.2631
495.343.14123.99215.4288-0.00254.5159-0.32430.59110.8461-1.21640.57630.3217-0.53570.3444-0.30922.2983-0.0826-0.15511.96760.70321.7506-2.158936.6398.0776
505.11664.5943-0.32914.9576-1.64872.0964-0.405-0.01250.4366-0.482-0.24210.1448-0.4550.24090.61350.89910.036-0.23990.89880.18330.5579-8.477419.326312.268
513.52341.09611.16051.9681-0.7333.914-0.2238-0.63560.39711.0701-0.2929-0.6106-1.32691.45830.40692.0742-0.1509-0.6582.1783-0.10771.807743.08411.237170.6806
521.02791.32691.01272.17652.34393.33091.28074.383-3.4582-4.6909-0.23193.25552.62-5.4303-1.07412.3598-0.2752-0.69113.5176-0.47442.308867.891910.195888.091
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 1 through 9 )R1 - 9
2X-RAY DIFFRACTION2chain 'T' and (resid 1 through 10 )T1 - 10
3X-RAY DIFFRACTION3chain 'T' and (resid 11 through 28 )T11 - 28
4X-RAY DIFFRACTION4chain 'A' and (resid 3 through 672 )A3 - 672
5X-RAY DIFFRACTION5chain 'A' and (resid 673 through 889 )A673 - 889
6X-RAY DIFFRACTION6chain 'A' and (resid 890 through 1127 )A890 - 1127
7X-RAY DIFFRACTION7chain 'A' and (resid 1128 through 1317 )A0
8X-RAY DIFFRACTION8chain 'A' and (resid 1318 through 1446 )A0
9X-RAY DIFFRACTION9chain 'B' and (resid 20 through 202 )B20 - 202
10X-RAY DIFFRACTION10chain 'B' and (resid 203 through 268 )B203 - 268
11X-RAY DIFFRACTION11chain 'B' and (resid 269 through 435 )B269 - 435
12X-RAY DIFFRACTION12chain 'B' and (resid 436 through 551 )B436 - 551
13X-RAY DIFFRACTION13chain 'B' and (resid 552 through 852 )B552 - 852
14X-RAY DIFFRACTION14chain 'B' and (resid 853 through 994 )B853 - 994
15X-RAY DIFFRACTION15chain 'B' and (resid 995 through 1221 )B995 - 1221
16X-RAY DIFFRACTION16chain 'C' and (resid 2 through 26 )C2 - 26
17X-RAY DIFFRACTION17chain 'C' and (resid 27 through 195 )C27 - 195
18X-RAY DIFFRACTION18chain 'C' and (resid 196 through 227 )C196 - 227
19X-RAY DIFFRACTION19chain 'C' and (resid 228 through 268 )C228 - 268
20X-RAY DIFFRACTION20chain 'E' and (resid 4 through 71 )E4 - 71
21X-RAY DIFFRACTION21chain 'E' and (resid 72 through 126 )E72 - 126
22X-RAY DIFFRACTION22chain 'E' and (resid 127 through 215 )E127 - 215
23X-RAY DIFFRACTION23chain 'F' and (resid 69 through 73 )F69 - 73
24X-RAY DIFFRACTION24chain 'F' and (resid 74 through 102 )F74 - 102
25X-RAY DIFFRACTION25chain 'F' and (resid 103 through 116 )F103 - 116
26X-RAY DIFFRACTION26chain 'F' and (resid 117 through 126 )F117 - 126
27X-RAY DIFFRACTION27chain 'F' and (resid 127 through 147 )F127 - 147
28X-RAY DIFFRACTION28chain 'F' and (resid 148 through 154 )F148 - 154
29X-RAY DIFFRACTION29chain 'H' and (resid 2 through 16 )H2 - 16
30X-RAY DIFFRACTION30chain 'H' and (resid 17 through 30 )H17 - 30
31X-RAY DIFFRACTION31chain 'H' and (resid 31 through 36 )H31 - 36
32X-RAY DIFFRACTION32chain 'H' and (resid 37 through 60 )H37 - 60
33X-RAY DIFFRACTION33chain 'H' and (resid 61 through 82 )H61 - 82
34X-RAY DIFFRACTION34chain 'H' and (resid 83 through 94 )H83 - 94
35X-RAY DIFFRACTION35chain 'H' and (resid 95 through 125 )H95 - 125
36X-RAY DIFFRACTION36chain 'H' and (resid 126 through 139 )H126 - 139
37X-RAY DIFFRACTION37chain 'H' and (resid 140 through 146 )H140 - 146
38X-RAY DIFFRACTION38chain 'I' and (resid 2 through 52 )I2 - 52
39X-RAY DIFFRACTION39chain 'I' and (resid 53 through 87 )I53 - 87
40X-RAY DIFFRACTION40chain 'I' and (resid 88 through 119 )I88 - 119
41X-RAY DIFFRACTION41chain 'J' and (resid 1 through 17 )J1 - 17
42X-RAY DIFFRACTION42chain 'J' and (resid 18 through 26 )J18 - 26
43X-RAY DIFFRACTION43chain 'J' and (resid 27 through 56 )J27 - 56
44X-RAY DIFFRACTION44chain 'J' and (resid 57 through 65 )J57 - 65
45X-RAY DIFFRACTION45chain 'K' and (resid 1 through 39 )K1 - 39
46X-RAY DIFFRACTION46chain 'K' and (resid 40 through 77 )K40 - 77
47X-RAY DIFFRACTION47chain 'K' and (resid 78 through 114 )K78 - 114
48X-RAY DIFFRACTION48chain 'L' and (resid 28 through 36 )L28 - 36
49X-RAY DIFFRACTION49chain 'L' and (resid 37 through 51 )L37 - 51
50X-RAY DIFFRACTION50chain 'L' and (resid 52 through 70 )L52 - 70
51X-RAY DIFFRACTION51chain 'N' and (resid 2 through 16 )N2 - 16
52X-RAY DIFFRACTION52chain 'N' and (resid 17 through 19 )N17 - 19

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