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- PDB-7kee: RNA polymerase II elongation complex with unnatural base dTPT3, r... -

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Basic information

Entry
Database: PDB / ID: 7kee
TitleRNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site
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 DNA
  • RNA
  • Template strand DNA
KeywordsTRANSCRIPTION/DNA/RNA / RNA polymerase II / elongation complex / unnatural base / TPT3 / NAM / TRANSCRIPTION / TRANSCRIPTION-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
Chem-WCG / 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 ...Chem-WCG / 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: 3.45 Å
Model detailsRNA polymerase II, 5-guanidinohydantoin, elongation complex, DNA lesion
AuthorsOh, J. / 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: Nat.Chem.Biol. / Year: 2021
Title: Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Authors: Oh, J. / Shin, J. / Unarta, I.C. / Wang, W. / Feldman, A.W. / Karadeema, R.J. / Xu, L. / Xu, J. / Chong, J. / Krishnamurthy, R. / Huang, X. / Romesberg, F.E. / Wang, D.
History
DepositionOct 10, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 23, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 14, 2021Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Aug 11, 2021Group: Database references / Category: citation / database_2
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Oct 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
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
R: RNA
T: Template strand DNA
N: Non-template DNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)487,78423
Polymers486,70613
Non-polymers1,07810
Water0
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)169.544, 222.739, 194.661
Angle α, β, γ (deg.)90.000, 101.900, 90.000
Int Tables number5
Space group name H-MC121

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Components

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

#1: 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
#2: 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
#3: 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
#7: 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
#9: 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

#4: 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
#5: 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
#6: 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
#8: 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
#10: 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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RNA chain , 1 types, 1 molecules R

#11: RNA chain RNA /


Mass: 3264.036 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

#12: DNA chain Template strand DNA


Mass: 8895.848 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#13: DNA chain Non-template DNA


Mass: 4920.188 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 10 molecules

#14: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#15: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#16: Chemical ChemComp-WCG / (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol


Mass: 530.251 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H21O14P3 / Feature type: SUBJECT OF INVESTIGATION

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Details

Has ligand of interestY

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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: 3.69 Å3/Da / Density % sol: 66.7 % / Mosaicity: 0.14 °
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: 5.0.3 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 23, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.41→49.155 Å / Num. obs: 95996 / % possible obs: 99.9 % / Redundancy: 7 % / Biso Wilson estimate: 78.14 Å2 / CC1/2: 0.948 / Rmerge(I) obs: 0.657 / Rpim(I) all: 0.267 / Rrim(I) all: 0.71 / Net I/σ(I): 4.1
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
3.41-3.476.83.323200446930.2411.3693.5960.7100
18.68-49.157.20.04742175840.9980.0190.05134.494.7

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
XDSdata reduction
Aimless0.7.3data scaling
PDB_EXTRACT3.25data extraction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2e2j

2e2j


Resolution: 3.45→49.15 Å / SU ML: 0.55 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 33.91 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3019 1930 2.08 %
Rwork0.2586 90699 -
obs0.2595 92629 99.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 224.16 Å2 / Biso mean: 88.962 Å2 / Biso min: 36.57 Å2
Refinement stepCycle: final / Resolution: 3.45→49.15 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28069 928 42 0 29039
Biso mean--131.7 --
Num. residues----3582
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.45-3.53630.38651380.3701642799
3.5363-3.63180.35251360.3564639599
3.6318-3.73870.36541370.33836467100
3.7387-3.85930.39441380.31796493100
3.8593-3.99720.35491370.30676459100
3.9972-4.15710.33221370.27566456100
4.1571-4.34620.34261390.26256494100
4.3462-4.57520.31360.24246428100
4.5752-4.86160.29891390.23476514100
4.8616-5.23660.26291380.24426480100
5.2366-5.76290.29741380.25426487100
5.7629-6.59510.30211380.25466490100
6.5951-8.30260.25721380.21916522100
8.3026-49.150.22441410.18856587100
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)
10.89620.2019-0.19250.6650.69511.24540.05130.22340.41280.0574-0.0364-0.1762-0.13560.51540.04230.6995-0.165-0.12790.77590.17680.8804218.547412.073241.6728
20.4689-0.06650.04660.064-0.110.69410.08470.0159-0.07820.06120-0.05370.2495-0.0471-0.07560.8093-0.0674-0.24070.35020.04380.5062171.6846-17.918152.6514
30.42850.37870.37240.77390.35730.59940.04620.0543-0.05090.08810.00640.24760.3153-0.0761-0.05611.0630.0399-0.28190.42540.01990.5903187.7642-21.319175.7982
40.92650.29290.98822.83951.81252.2028-0.04370.09670.08740.43850.1183-0.17730.0274-0.0525-0.10160.7020.0657-0.03590.45910.01970.5848193.55426.5636102.2955
50.3792-0.1370.16590.6436-0.13550.9468-0.20720.08940.12940.1195-0.1387-0.0343-0.6260.14310.27750.9029-0.0396-0.3560.46560.01580.6029197.3519-12.616864.172
60.81530.4528-0.10780.76950.28170.8251-0.05210.02630.4528-0.17890.1934-0.053-0.28620.1032-0.0920.8763-0.0171-0.15720.41860.06450.7343168.322242.217943.6099
70.0371-0.14680.17360.6922-0.18580.99980.1255-0.0033-0.06370.4226-0.0012-0.09090.17670.1035-0.07550.906-0.0854-0.17610.3780.04480.6464176.644234.509351.6364
80.3231-0.06160.38170.47650.44461.75370.02460.08140.11890.23940.0792-0.2567-0.28450.2572-0.06920.8506-0.1257-0.15420.53070.0010.7291191.614638.693568.0398
90.47150.04520.21530.95070.12670.755-0.1418-0.07360.29050.66380.0508-0.4307-0.158-0.2758-0.0713-0.14070.03610.62450.3120.03270.0528161.65330.039263.8342
100.30870.1863-0.32571.07890.41732.13270.04930.13160.1072-0.0348-0.0656-0.1672-0.11590.20010.02510.1740.02270.02150.38380.08980.3684167.780313.669624.4562
110.4359-0.04490.14940.28350.04370.6435-0.00390.13840.06620.0415-0.0399-0.137-0.01040.08690.03980.4475-0.085-0.04960.36180.1180.4746177.5522-3.188437.6884
122.8630.3282-0.49681.6122-0.8020.96050.02270.02-0.0422-0.0771-0.1241-0.04330.273-0.1930.04230.2832-0.4630.14090.68050.04030.4928130.0727-15.607828.9201
131.77160.4034-0.40523.6567-0.55321.4092-0.25430.1247-0.0221-0.2680.25430.35170.2237-0.04760.04970.4099-0.0870.00910.48580.10930.237145.44136.518515.1216
140.9669-0.6078-1.43340.67520.64952.3329-0.13590.314-0.1631-0.16660.0098-0.05350.17330.07170.1190.25450.06930.14920.9824-0.1410.4038146.9028-4.96752.6989
150.81410.58690.29381.55010.49270.67990.09610.28650.2107-0.5121-0.11410.59330.16820.02810.01810.79990.038-0.31650.65870.10030.7418138.341615.248514.2013
161.3167-0.51370.420.4738-0.71812.51330.2519-0.2171-0.36810.03780.01640.23290.588-0.4646-0.14910.6544-0.1818-0.07510.43060.0270.5925137.8312-8.344737.1864
170.196-0.33650.35763.1009-3.02623.03450.1239-0.1995-0.13630.27590.15550.187-0.0419-0.1724-0.30410.5451-0.1003-0.12720.79520.02690.6413129.0626-19.170240.2914
180.47670.4446-0.59021.0421-0.3641.36540.24250.5225-0.3246-0.25680.0913-0.13630.95510.1871-0.19441.06810.0322-0.36250.7146-0.06420.5805140.7066-22.601614.7934
192.5764-0.0622-0.62192.66970.26583.22490.0177-0.52440.13690.11270.12050.57580.52880.17110.19641.4430.0872-0.53350.6689-0.03250.9359208.6226-22.280199.391
201.1332-0.0476-0.67852.98493.48374.4214-0.828-0.38520.35860.8956-0.0676-0.1114-0.92850.74570.49751.3980.0504-0.47071.0253-0.01910.8278220.1737-25.695591.6317
211.18590.1846-0.04321.40480.38562.1935-0.1695-0.04050.6931-0.11890.2726-1.2212-0.72410.58590.04960.57420.1289-0.01711.0687-0.38521.0195224.2787-12.109289.3709
220.43660.17080.31650.8680.99152.7197-0.0679-0.07370.0219-0.26710.33920.1470.37750.295-0.05281.00760.0465-0.41520.42030.07830.644209.1666-23.460971.3673
233.2591.0056-0.91481.5788-0.0821.16040.07110.0478-0.4155-0.0497-0.0597-0.081-0.00470.3166-0.01230.82190.1107-0.24230.4444-0.11020.5951205.8567-37.731443.9441
241.1981-0.3651-0.35850.50280.16192.01550.01750.2886-0.3261-0.1392-0.14460.10040.09440.218-0.06420.11880.2301-0.09410.5859-0.14090.374194.192-28.781330.9252
254.29831.964-0.32144.3671-0.09891.23090.17940.1478-0.1228-0.28050.3631-0.3356-0.26350.1579-0.35460.85780.025-0.21041.0035-0.13430.6756188.9107-35.305519.743
261.74950.32330.20040.2025-0.67593.61050.1940.2289-0.5138-0.0299-0.12640.30740.2527-0.3042-0.07550.93940.054-0.3250.47980.16940.7601188.0659-35.638627.5937
272.5459-0.25480.00624.6571-0.48720.0518-0.08420.1144-0.5452-0.1277-0.11350.13940.4770.01110.1861.2974-0.13530.05610.5977-0.04420.4572197.7948-38.791228.8908
280.6947-0.4022-1.01370.70560.16872.13570.14350.1332-0.23770.1932-0.0393-0.0614-0.23460.4349-0.09170.77810.19070.16770.5489-0.14270.3723207.6726-31.721441.4913
293.97413.37361.77895.7863-2.86447.72270.06360.22070.24030.4626-0.09110.2668-0.5227-0.392-0.1761.22090.207-0.58750.5942-0.05480.938194.9214-39.397138.8505
300.5307-0.3110.43421.4201-0.59790.6729-0.0534-0.1815-0.36170.2594-0.3596-0.0980.28560.02380.20810.5575-0.22390.20410.53230.3450.8191141.2969-42.065465.009
311.94360.0294-2.1762.2562-0.85764.9129-0.02810.267-0.17110.0657-0.5177-0.02570.1822-0.50250.34151.6493-0.1952-0.26060.5080.03820.8954144.9144-48.699747.2464
324.0661-1.40540.76954.66822.0965.7952-0.59710.93810.1803-1.27250.07460.5049-0.2304-0.29720.35261.5853-0.6861-0.36381.0633-0.21111.24136.5416-50.601242.3588
332.0371-0.31891.11431.2704-0.48762.20940.3005-0.0804-0.554-0.11360.01810.19870.5879-0.0682-0.15011.4567-0.368-0.40390.65310.2560.9232150.2583-48.95361.5467
340.27990.3124-0.44152.16490.07550.83480.17630.287-0.4148-0.00360.23550.08360.72530.2212-0.29240.7842-0.09150.04380.5082-0.16080.5794197.643237.1368105.3341
351.7424-0.24640.05291.24030.56851.4508-0.2794-0.7652-0.25980.5658-0.0203-0.357-0.816-0.33160.21781.01880.0149-0.30090.61140.02240.5909161.697527.605193.5971
364.1633-2.38440.29663.5855-0.62881.32550.3521-0.7698-0.31880.1114-0.1947-0.0202-0.1113-0.0657-0.19731.05930.0264-0.21610.76130.02050.5455168.220921.595896.318
370.39430.28760.12680.56950.24950.10940.0607-0.0588-0.07450.0261-0.0926-0.08930.0449-0.0978-0.04330.5181-0.14260.32990.69010.25360.3566145.43713.59427.9983
386.14432.7014.05785.83842.91813.07350.0584-0.5423-0.21530.70260.05930.52530.1103-0.5824-0.05690.8288-0.12150.08270.410.26160.4715142.95352.284330.6633
391.6711-1.71880.55281.9475-0.47680.2257-0.08470.35040.0783-0.6126-0.0122-0.45750.02260.10140.00820.75660.0456-0.12570.7996-0.46130.5481136.35337.796928.2894
402.16520.194-1.36070.99650.45172.96190.04980.21620.2831-0.04520.03280.1501-0.1376-0.2117-0.04030.1902-0.13840.17650.54310.03250.625133.672719.396433.5112
410.1659-0.06130.11660.56290.27140.2624-0.23480.48520.1727-0.6093-0.3113-0.07970.01290.07930.39131.1896-0.22080.12811.5650.48661.1783127.055221.478939.9225
420.6801-0.3848-0.86892.74741.11651.6494-0.06140.0973-0.20660.00190.04260.06070.03320.05550.11580.1716-0.04940.22770.804-0.02060.5845131.29639.022837.8159
433.45170.5601-3.04091.3406-1.59694.26750.14860.5179-0.1958-0.4715-0.05550.27770.37370.0133-0.01790.35280.3778-0.14230.7362-0.05670.4603139.89246.752438.147
444.74243.6217-3.12363.1317-2.39642.07410.0332-0.0095-0.00990.1678-0.10720.18730.0455-0.0165-0.03860.1601-0.120.18420.1952-0.25050.3881145.75317.308734.4654
454.9335-1.16161.83218.9027-0.54076.69650.1530.1880.01460.27980.5431-0.18550.16770.2676-0.48230.59480.057-0.1480.5229-0.00490.6474150.421227.976726.7356
460.95590.23590.23081.57480.36340.8935-0.05840.0661-0.2755-0.20010.0916-0.21420.0953-0.36040.09110.2756-0.11650.08720.49230.03330.444157.4845-22.415919.2838
470.39470.5401-0.40020.8327-0.29880.83730.0531-0.1776-0.13820.4385-0.20570.33030.2672-0.4607-0.03190.4231-0.15480.31520.39330.03670.065147.2721-27.202525.6094
480.9833-0.332-0.66521.7203-0.19760.89760.08870.1591-0.1713-0.18570.0367-0.19120.0493-0.48580.15391.1761-0.211-0.520.5988-0.00080.7205150.6001-32.434427.6108
490.364-0.04240.14330.12930.06820.70940.06540.0507-0.0063-0.09590.24840.3208-0.0256-0.39660.08740.009-0.24170.07920.7182-0.06140.713129.7835-23.180321.4145
505.7332-0.83380.98272.3636-2.66053.02690.54340.3382-0.74090.10660.65550.42150.318-0.2551-0.95570.7978-0.042-0.2060.80670.04011.0862161.099731.876710.4263
510.14370.30720.77245.0911.25564.17770.2661-0.56720.1886-0.61540.1725-1.3437-0.62181.395-0.18851.1042-0.64290.27812.07380.4681.3166170.899634.03036.0725
520.26740.05060.72180.01470.1212.1552-0.08420.15770.30640.16620.0569-0.1096-1.1987-0.3008-0.0490.93-0.0799-0.06881.0750.32720.9622165.983437.378914.1829
532.56354.5091-1.87858.165-3.05141.6203-0.58940.52210.327-0.5591-0.1784-0.3815-0.05270.00440.56570.84380.2495-0.12910.84420.17790.6375157.552311.7829.9657
540.0082-0.03990.02372.2075-0.58920.1799-0.37280.5112-0.2104-1.4335-0.3235-0.83710.08940.42780.59230.8807-0.04650.20950.8654-0.04240.9312183.370913.64938.4094
552.27591.49390.44441.38830.90471.0028-0.2980.4507-0.1309-0.15360.0382-0.25380.15420.29490.21752.61950.3746-0.13922.4869-0.04112.2621212.869911.890974.39
561.17620.4007-0.2482.4203-0.49570.9506-0.3930.2039-0.41550.0692-0.2547-0.47160.1320.03930.41761.5659-0.002-0.16480.8017-0.0390.9745186.302611.685140.9607
571.39390.91720.72491.05420.11580.7204-0.1514-0.05320.5025-0.45070.0584-0.0536-0.02590.7836-0.15592.7688-0.50280.26661.8209-0.3021.3607210.490811.777272.9795
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 339 )A3 - 339
2X-RAY DIFFRACTION2chain 'A' and (resid 340 through 946 )A340 - 946
3X-RAY DIFFRACTION3chain 'A' and (resid 947 through 1197 )A947 - 1197
4X-RAY DIFFRACTION4chain 'A' and (resid 1198 through 1292 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 1293 through 1445 )A0
6X-RAY DIFFRACTION6chain 'B' and (resid 20 through 133 )B20 - 133
7X-RAY DIFFRACTION7chain 'B' and (resid 134 through 259 )B134 - 259
8X-RAY DIFFRACTION8chain 'B' and (resid 260 through 482 )B260 - 482
9X-RAY DIFFRACTION9chain 'B' and (resid 483 through 796 )B483 - 796
10X-RAY DIFFRACTION10chain 'B' and (resid 797 through 988 )B797 - 988
11X-RAY DIFFRACTION11chain 'B' and (resid 989 through 1224 )B989 - 1224
12X-RAY DIFFRACTION12chain 'C' and (resid 3 through 40 )C3 - 40
13X-RAY DIFFRACTION13chain 'C' and (resid 41 through 79 )C41 - 79
14X-RAY DIFFRACTION14chain 'C' and (resid 80 through 96 )C80 - 96
15X-RAY DIFFRACTION15chain 'C' and (resid 97 through 151 )C97 - 151
16X-RAY DIFFRACTION16chain 'C' and (resid 152 through 208 )C152 - 208
17X-RAY DIFFRACTION17chain 'C' and (resid 209 through 239 )C209 - 239
18X-RAY DIFFRACTION18chain 'C' and (resid 240 through 268 )C240 - 268
19X-RAY DIFFRACTION19chain 'E' and (resid 2 through 50 )E2 - 50
20X-RAY DIFFRACTION20chain 'E' and (resid 51 through 82 )E51 - 82
21X-RAY DIFFRACTION21chain 'E' and (resid 83 through 135 )E83 - 135
22X-RAY DIFFRACTION22chain 'E' and (resid 136 through 215 )E136 - 215
23X-RAY DIFFRACTION23chain 'F' and (resid 72 through 86 )F72 - 86
24X-RAY DIFFRACTION24chain 'F' and (resid 87 through 102 )F87 - 102
25X-RAY DIFFRACTION25chain 'F' and (resid 103 through 116 )F103 - 116
26X-RAY DIFFRACTION26chain 'F' and (resid 117 through 127 )F117 - 127
27X-RAY DIFFRACTION27chain 'F' and (resid 128 through 132 )F128 - 132
28X-RAY DIFFRACTION28chain 'F' and (resid 133 through 147 )F133 - 147
29X-RAY DIFFRACTION29chain 'F' and (resid 148 through 155 )F148 - 155
30X-RAY DIFFRACTION30chain 'H' and (resid 2 through 54 )H2 - 54
31X-RAY DIFFRACTION31chain 'H' and (resid 55 through 82 )H55 - 82
32X-RAY DIFFRACTION32chain 'H' and (resid 83 through 92 )H83 - 92
33X-RAY DIFFRACTION33chain 'H' and (resid 93 through 146 )H93 - 146
34X-RAY DIFFRACTION34chain 'I' and (resid 2 through 49 )I2 - 49
35X-RAY DIFFRACTION35chain 'I' and (resid 50 through 86 )I50 - 86
36X-RAY DIFFRACTION36chain 'I' and (resid 87 through 120 )I87 - 120
37X-RAY DIFFRACTION37chain 'J' and (resid 1 through 5 )J1 - 5
38X-RAY DIFFRACTION38chain 'J' and (resid 6 through 10 )J6 - 10
39X-RAY DIFFRACTION39chain 'J' and (resid 11 through 17 )J11 - 17
40X-RAY DIFFRACTION40chain 'J' and (resid 18 through 26 )J18 - 26
41X-RAY DIFFRACTION41chain 'J' and (resid 27 through 31 )J27 - 31
42X-RAY DIFFRACTION42chain 'J' and (resid 32 through 43 )J32 - 43
43X-RAY DIFFRACTION43chain 'J' and (resid 44 through 51 )J44 - 51
44X-RAY DIFFRACTION44chain 'J' and (resid 52 through 56 )J52 - 56
45X-RAY DIFFRACTION45chain 'J' and (resid 57 through 65 )J57 - 65
46X-RAY DIFFRACTION46chain 'K' and (resid 1 through 29 )K1 - 29
47X-RAY DIFFRACTION47chain 'K' and (resid 30 through 52 )K30 - 52
48X-RAY DIFFRACTION48chain 'K' and (resid 53 through 82 )K53 - 82
49X-RAY DIFFRACTION49chain 'K' and (resid 83 through 114 )K83 - 114
50X-RAY DIFFRACTION50chain 'L' and (resid 25 through 36 )L25 - 36
51X-RAY DIFFRACTION51chain 'L' and (resid 37 through 46 )L37 - 46
52X-RAY DIFFRACTION52chain 'L' and (resid 47 through 58 )L47 - 58
53X-RAY DIFFRACTION53chain 'L' and (resid 59 through 70 )L59 - 70
54X-RAY DIFFRACTION54chain 'R' and (resid 1 through 10 )R1 - 10
55X-RAY DIFFRACTION55chain 'T' and (resid 5 through 14 )T5 - 14
56X-RAY DIFFRACTION56chain 'T' and (resid 15 through 28 )T15 - 28
57X-RAY DIFFRACTION57chain 'N' and (resid 3 through 13 )N3 - 13

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