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- PDB-6uq1: RNA polymerase II elongation complex with 5-guanidinohydantoin le... -

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Basic information

Entry
Database: PDB / ID: 6uq1
TitleRNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 6
Components
  • (DNA-directed RNA polymerase II subunit ...) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...) x 5
  • Non-template strand DNA
  • RNA
  • Template strand DNA
KeywordsTRANSCRIPTION/DNA/RNA / RNA polymerase II / 5-guanidinohydantoin / elongation complex / DNA lesion / 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 / RNA polymerase II transcribes snRNA genes / TP53 Regulates Transcription of DNA Repair Genes / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening ...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 / RNA polymerase II transcribes snRNA genes / TP53 Regulates Transcription of DNA Repair Genes / 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 / termination of RNA polymerase II transcription / RNA-templated transcription / termination of RNA polymerase III transcription / RNA Polymerase II Pre-transcription Events / Formation of TC-NER Pre-Incision Complex / termination of RNA polymerase I transcription / transcription initiation at RNA polymerase III promoter / RNA Polymerase I Promoter Escape / nucleolar large rRNA transcription by RNA polymerase I / Gap-filling DNA repair synthesis and ligation in TC-NER / maintenance of transcriptional fidelity during transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase I promoter / transcription by RNA polymerase I / Estrogen-dependent gene expression / transcription by RNA polymerase III / Dual incision in TC-NER / transcription elongation by RNA polymerase I / RNA polymerase I complex / RNA polymerase III complex / transcription-coupled nucleotide-excision repair / RNA polymerase III activity / RNA polymerase II, core complex / tRNA transcription by RNA polymerase III / RNA polymerase I activity / translesion synthesis / RNA polymerase II activity / transcription elongation by RNA polymerase II / transcription initiation at RNA polymerase II promoter / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / cytoplasmic stress granule / DNA-directed RNA polymerase / peroxisome / ribosome biogenesis / transcription by RNA polymerase II / nucleic acid binding / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / nucleus / metal ion binding / cytoplasm
Similarity search - Function
Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase, Rpb5, N-terminal domain / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / RNA Polymerase Alpha Subunit; Chain A, domain 2 ...Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase, Rpb5, N-terminal domain / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / N-terminal domain of TfIIb - #10 / RNA polymerase subunit, RPB6/omega / Eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / RNA Polymerase Alpha Subunit; Chain A, domain 2 / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / 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 / Gyrase A; domain 2 / 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, 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 / DNA-directed RNA polymerase subunit Rpo11 / RNA polymerases L / 13 to 16 Kd subunits signature. / Homeodomain-like / 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 / Zinc finger, TFIIS-type / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / 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. / Single Sheet / Nucleic acid-binding proteins / Beta Complex / 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 Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / 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, beta subunit, protrusion / RNA polymerase beta subunit / 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 / DNA-directed RNA polymerase, insert domain
Similarity search - Domain/homology
DNA / DNA (> 10) / RNA / RNA (> 10) / 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 / DNA (> 10) / RNA / RNA (> 10) / 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: 3.6 Å
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: Proc.Natl.Acad.Sci.USA / Year: 2020
Title: RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Authors: Oh, J. / Fleming, A.M. / Xu, J. / Chong, J. / Burrows, C.J. / Wang, D.
History
DepositionOct 18, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 10, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

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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
N: Non-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
hetero molecules


Theoretical massNumber of molelcules
Total (without water)488,45922
Polymers487,91213
Non-polymers5489
Water00
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)170.502, 223.508, 194.943
Angle α, β, γ (deg.)90.000, 101.580, 90.000
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11I-82-

GLU

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Components

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RNA chain , 1 types, 1 molecules R

#1: RNA chain RNA


Mass: 3876.368 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: 8745.599 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain Non-template strand DNA


Mass: 5663.694 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

#4: Protein DNA-directed RNA polymerase II subunit RPB1 / 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
#5: Protein DNA-directed RNA polymerase II subunit RPB2 / 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
#6: Protein DNA-directed RNA polymerase II subunit RPB3 / 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
#10: Protein DNA-directed RNA polymerase II subunit RPB9 / 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
#12: Protein DNA-directed RNA polymerase II subunit RPB11 / 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

#7: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC1 / 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
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / 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
#9: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / 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
#11: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / 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
#13: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / 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-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

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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: 3.73 Å3/Da / Density % sol: 67.02 % / Mosaicity: 0.2 °
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: 5.0.2 / Wavelength: 0.9767 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Mar 23, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9767 Å / Relative weight: 1
ReflectionResolution: 3.54→49.521 Å / Num. obs: 86875 / % possible obs: 100 % / Redundancy: 7 % / Biso Wilson estimate: 93.24 Å2 / CC1/2: 0.979 / Rmerge(I) obs: 0.491 / Rpim(I) all: 0.2 / Rrim(I) all: 0.531 / Net I/σ(I): 5.1
Reflection shellResolution: 3.54→3.6 Å / Redundancy: 7.2 % / Rmerge(I) obs: 3.695 / Num. measured all: 33112 / Num. unique obs: 4609 / CC1/2: 0.251 / Rpim(I) all: 1.481 / Rrim(I) all: 3.984 / Net I/σ(I) obs: 0.6 / % possible all: 100

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Processing

Software
NameVersionClassification
Aimless0.7.3data scaling
PHENIX1.13_2998refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6BLO

6blo


Resolution: 3.6→49.521 Å / SU ML: 0.4 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 32.72
RfactorNum. reflection% reflection
Rfree0.2874 1900 2.3 %
Rwork0.2398 --
obs0.2409 82539 99.88 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 328.22 Å2 / Biso mean: 110.9463 Å2 / Biso min: 14.34 Å2
Refinement stepCycle: final / Resolution: 3.6→49.521 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27992 1097 9 0 29098
Biso mean--164.24 --
Num. residues----3596
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork
3.6-3.690.38121340.34845730
3.69-3.78970.37121360.33355753
3.7897-3.90120.33021350.31795748
3.9012-4.02710.40241350.29855709
4.0271-4.17090.31811360.27525751
4.1709-4.33780.30251350.24895718
4.3378-4.53510.29271360.23035792
4.5351-4.77410.26111350.2195699
4.7741-5.07290.2881360.21945788
5.0729-5.46410.31041360.23275757
5.4641-6.01320.32941360.23845745
6.0132-6.88130.25251360.23275794
6.8813-8.66210.23941370.2015810
8.6621-49.5210.21671370.19145845
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)
10.01860.05040.04480.16190.10630.0972-0.67430.3884-0.26820.34810.271-0.46890.11910.17650.00311.3371-0.08550.26081.5858-0.04851.285211.354510.560342.1729
20.02150.01910.00160.03670.00570.04440.29890.18240.4412-0.20160.08170.11890.2172-0.2440.00061.774-0.02160.1022.4918-0.38192.78951.094111.436381.2201
30.01160.00050.00990.02080.00930.01190.10130.0219-0.08240.0311-0.03260.0543-0.04140.00460.00022.4487-0.2009-0.2152.06930.55081.673534.292614.207961.429
40.0208-0.0165-0.01050.04170.00390.00570.0572-0.25460.0922-0.0009-0.1815-0.22710.0134-0.03890.00292.2665-0.03750.00391.5923-0.18341.327116.75054.160845.3839
50.00360.0056-0.00350.0063-0.00530.0036-0.05650.1735-0.05580.0212-0.07240.3311-0.0533-0.2498-0.00151.87920.2931-0.16551.1242-0.08691.146112.687219.800932.835
60.01560.0032-0.0120.0186-0.0060.01030.22710.12490.16690.03840.127-0.09950.0518-0.1330.00361.9937-0.5802-0.16932.47390.07232.282327.80098.838764.9027
70.01550.0161-0.00230.03960.02750.04660.0469-0.0936-0.09530.1025-0.05330.094-0.0912-0.013-0.00012.22170.2704-0.20192.9828-0.10022.550344.643913.454569.9603
80.0268-0.00490.01150.0009-0.00320.0167-0.01750.12140.1179-0.0349-0.05740.0543-0.05540.0369-0.00072.66950.6106-0.16212.86620.03732.325951.939910.263686.4057
90.0314-0.3336-0.05333.94370.70790.14050.02930.07120.01820.0029-0.00350.0810.0007-0.01020.00592.62320.3333-0.18042.16170.24192.383564.72497.725789.0996
100.2887-0.021-0.08440.34320.11240.24960.1470.15660.3382-0.24360.0141-0.15550.26290.4032-0.00020.6106-0.141-0.05510.92240.10861.133952.20969.644342.3425
110.55230.13850.01130.0955-0.13340.23610.21640.21270.0482-0.0103-0.0010.01490.48070.08810.15350.9142-0.1063-0.31970.39620.06810.583510.9065-12.387134.6327
120.2322-0.0989-0.2230.68230.21140.19710.0653-0.2695-0.02640.26720.0286-0.11260.2116-0.19920.01930.9662-0.3676-0.12030.38590.22630.3774-5.9952-6.742366.8747
130.1343-0.2222-0.08110.5369-0.05350.1390.0347-0.0412-0.03240.12690.1364-0.04250.17670.10020.02851.0346-0.0025-0.33640.2434-0.01840.575322.2763-18.854275.4043
140.10210.0417-0.02830.0222-0.0059-0-0.1063-0.47790.33570.0070.0236-0.034-0.35670.185-0.00860.7594-0.1899-0.00190.4229-0.03640.6172-0.866943.449851.7636
150.5090.17130.06170.59630.36780.2306-0.03780.2110.18190.19320.0963-0.33840.06630.0850.01040.8144-0.1148-0.10610.41990.06760.65477.93236.65448.4163
160.5587-0.10180.36280.29390.24160.512-0.1098-0.0480.1210.2121-0.03990.086-0.14420.022-0.00060.3033-0.12170.07250.35570.01520.49620.625938.394565.7604
170.1362-0.08160.17280.8608-0.2520.4149-0.0188-0.15640.0520.51590.157-0.2903-0.2907-0.0970.02730.1692-0.15020.22380.39080.03130.2174-7.806430.115864.9628
180.09640.06870.04460.11590.0010.02090.02460.1928-0.0699-0.1955-0.1083-0.0711-0.06210.1048-0.1645-0.2963-0.33610.36910.31260.25490.1484-5.31989.786628.4106
190.190.0093-0.01350.14680.01270.065-0.0144-0.13670.11080.0495-0.031-0.19460.1952-0.0176-0.00780.0456-0.10280.1590.4720.13860.432614.6259-3.105636.0757
200.13180.08720.12030.2107-0.00340.1352-0.0218-0.1384-0.0738-0.1526-0.15120.28340.2659-0.1172-0.00010.8252-0.2092-0.14140.75430.04320.5285-35.8904-12.74525.7403
210.0168-0.01040.020.13470.0470.0333-0.25950.22830.0565-0.1892-0.14450.44970.3292-0.0025-0.01740.5735-0.13980.01680.55580.09860.3094-23.59252.538511.0894
220.0978-0.0834-0.0750.10590.01460.12990.17480.3941-0.0333-0.3709-0.25950.2254-0.0153-0.035-0.01921.09990.1087-0.29860.82040.05160.5117-29.071210.645415.3293
230.03850.0127-0.01770.06880.00760.01650.0598-0.33180.0402-0.067-0.0725-0.089-0.244-0.1684-0.00031.1021-0.2964-0.16130.92680.08210.6122-36.59-15.104650.2178
240.2938-0.18410.19540.2598-0.21590.1950.15310.1598-0.1670.11920.24460.08760.3076-0.10490.06180.8288-0.3617-0.2290.8080.03620.522-34.3851-21.491428.2521
250.11960.0479-0.05610.0463-0.0230.0543-0.0664-0.1992-0.30930.19160.1884-0.09670.0748-0.0960.00491.91870.0961-0.69920.9418-0.04631.265240.0714-22.628497.9062
260.08170.0114-0.03530.0005-0.00220.0117-0.16770.20220.17270.53010.1723-0.374-0.4097-0.1338-0.00021.95320.2202-0.58721.1985-0.17341.604850.9859-21.50994.0987
270.00150.01080.00440.09530.0260.0093-0.01530.0156-0.2292-0.07290.0705-0.03330.0623-0.0093-0.01311.0214-0.424-0.32382.2146-0.60232.950261.7782-12.664291.0518
280.3746-0.2594-0.20010.17150.12810.18120.08930.05770.26960.23830.0995-0.32530.29910.23270.00470.80240.0713-0.45280.6113-0.06430.822544.2987-20.424475.0336
290.0283-0.0395-0.02270.07030.07150.07960.07950.1432-0.09330.05250.0839-0.49670.20530.0770.00011.01670.1583-0.32270.544-0.03470.730730.9924-33.191537.1802
300.0150.00290.00110.00520.00760.0223-0.31790.0525-0.1822-0.049-0.2385-0.0977-0.00580.0382-0.00470.78150.19-0.0680.7841-0.12270.611818.9571-35.943523.3683
310.02210.02920.0150.03970.02020.0430.1513-0.04720.2568-0.13980.1563-0.02520.00370.06530.00131.47580.04680.00560.8663-0.17010.837335.5542-32.902137.76
320.05-0.02390.00520.0441-0.03050.02560.1963-0.0389-0.04840.02930.35810.4865-0.0584-0.04250.00370.89140.0028-0.25040.8731-0.11190.944931.8956-38.416839.2565
330.0522-0.0479-0.05420.06180.03390.0588-0.1484-0.0502-0.0715-0.16230.16050.38290.47190.03060.00080.636-0.1991-0.0430.46190.12170.8527-26.8454-44.043561.7578
340.0712-0.0242-00.30830.09710.0303-0.17190.102-0.2798-0.09040.03860.0719-0.02330.0382-0.34551.3407-0.613-0.23510.73090.24571.1429-24.6098-48.088551.2383
350.0355-0.03360.02630.0527-0.0210.022-0.1655-0.0498-0.73780.32550.02190.12070.54120.13560.00121.5079-0.2946-0.15940.87530.32310.977-18.0567-50.504462.7963
360.55830.1416-0.48560.0455-0.13540.43830.35530.0196-0.05970.01220.1426-0.27470.00290.12440.15621.404-0.1956-0.36880.7893-0.27290.902630.046239.5668106.3183
370.00520.0020.00030.049-0.0170.00450.368-0.17440.0318-0.1179-0.18910.03530.31250.2084-0.00011.0411-0.0424-0.17090.6136-0.00350.806124.249433.0265103.1335
380.0545-0.0142-0.01160.01720.03690.0802-0.07330.026-0.2082-0.130.17220.26790.11650.15030.0030.9208-0.056-0.15550.7848-0.00370.548-8.799227.401993.4719
390.11350.04020.04530.1233-0.05750.06540.15010.0911-0.2139-0.3934-0.1094-0.013-0.0909-0.0614-0.00151.2320.0624-0.37640.67990.02320.6536-0.972921.0996.2429
400.1553-0.06810.06760.12780.02830.06220.0683-0.09270.0854-0.04260.1068-0.0015-0.07860.11770.31590.3799-0.04570.18250.52350.15070.2543-25.2577.243929.745
410.25270.1652-0.06370.1418-0.04410.19110.0866-0.01570.14450.0524-0.02460.1342-0.0113-0.06070.49580.1263-0.1971-0.08910.4436-0.07040.5251-36.611116.327233.8863
420.0348-0.0195-0.09570.05080.0360.2616-0.00790.0142-0.0179-0.0142-0.0304-0.05850.01540.0399-0.2170.3253-0.1370.24990.77850.09980.6413-38.12588.584338.2323
430.09030.0268-0.00760.03490.04930.10150.28680.1105-0.18170.03870.0757-0.05890.1310.24590.01670.2665-0.1135-0.0630.6478-0.00530.3587-27.99379.299537.4599
440.0756-0.00710.01860.25330.09930.04450.01650.01820.1108-0.04950.0820.0124-0.0673-0.01940.11980.4136-0.20420.24470.7313-0.03230.6792-19.43927.014427.6757
450.26670.18380.48380.13540.33570.84110.18310.1728-0.07740.13390.0489-0.68140.459-0.07740.06980.3606-0.02010.01940.74610.09340.4489-11.5376-22.920419.5098
460.63370.3328-0.29540.2925-0.16060.13790.34090.10460.0324-0.11720.11930.29580.2269-0.09950.04220.67140.1209-0.13230.4325-0.01650.3206-21.9029-27.723225.8453
470.1047-0.1017-0.02630.1468-0.00790.02830.3601-0.278-0.3106-0.28950.024-0.2771-0.035-0.29060.00240.8918-0.3156-0.13660.56330.03780.7169-17.5253-28.53429.2817
480.0220.11930.11190.73030.87331.26680.26760.0183-0.03620.2606-0.01570.04710.340.06580.34940.4112-0.3392-0.11780.44280.02790.5657-33.7838-28.269822.8968
490.0213-0.0277-0.0250.04090.03440.02880.0434-0.1499-0.1130.13230.23080.1407-0.1052-0.1079-0.00031.80540.0534-0.01940.9168-0.08241.4973-7.914933.155212.9142
500.0024-0.0007-0.00230.0111-0.00390.0041-0.06780.0031-0.008-0.03640.06940.0139-0.03710.0635-0.00011.7767-0.001-0.08171.73320.46921.7332-4.261433.21615.8946
510.0197-0.0193-0.06260.04460.0720.2020.02660.00910.07270.0281-0.0725-0.02550.01230.0057-0.00091.487-0.47340.40161.5742-0.45151.60914.54435.79466.8173
520.03030.02780.00290.0273-0.00270.01660.1236-0.042-0.02020.02550.1583-0.0247-0.04930.0117-0.00441.7428-0.18750.05381.2650.48641.44-5.006141.151612.0212
53-0-0.0017-0.00140.0160.00960.00610.02310.00180.03590.07330.05580.0051-0.0664-0.04850.00171.4636-0.2984-0.33241.40740.1490.7705-2.833633.956515.8515
54-0.00090.0011-0.001-0.001-0.00060.00040.01780.2040.1449-0.1823-0.076-0.0434-0.1791-0.0509-0.00011.0345-0.0292-0.18250.79880.18510.3749-11.453511.689910.1949
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'R' and (resid 2 through 12 )R2 - 12
2X-RAY DIFFRACTION2chain 'T' and (resid 2 through 11 )T2 - 11
3X-RAY DIFFRACTION3chain 'T' and (resid 12 through 16 )T12 - 16
4X-RAY DIFFRACTION4chain 'T' and (resid 17 through 22 )T17 - 22
5X-RAY DIFFRACTION5chain 'T' and (resid 23 through 27 )T23 - 27
6X-RAY DIFFRACTION6chain 'N' and (resid 2 through 6 )N2 - 6
7X-RAY DIFFRACTION7chain 'N' and (resid 7 through 11 )N7 - 11
8X-RAY DIFFRACTION8chain 'N' and (resid 12 through 16 )N12 - 16
9X-RAY DIFFRACTION9chain 'N' and (resid 17 through 17 )N17
10X-RAY DIFFRACTION10chain 'A' and (resid 3 through 278 )A3 - 278
11X-RAY DIFFRACTION11chain 'A' and (resid 279 through 590 )A279 - 590
12X-RAY DIFFRACTION12chain 'A' and (resid 591 through 845 )A591 - 845
13X-RAY DIFFRACTION13chain 'A' and (resid 846 through 1446 )A846 - 1446
14X-RAY DIFFRACTION14chain 'B' and (resid 20 through 97 )B20 - 97
15X-RAY DIFFRACTION15chain 'B' and (resid 98 through 269 )B98 - 269
16X-RAY DIFFRACTION16chain 'B' and (resid 270 through 494 )B270 - 494
17X-RAY DIFFRACTION17chain 'B' and (resid 495 through 796 )B495 - 796
18X-RAY DIFFRACTION18chain 'B' and (resid 797 through 1038 )B797 - 1038
19X-RAY DIFFRACTION19chain 'B' and (resid 1039 through 1221 )B0
20X-RAY DIFFRACTION20chain 'C' and (resid 2 through 51 )C2 - 51
21X-RAY DIFFRACTION21chain 'C' and (resid 52 through 96 )C52 - 96
22X-RAY DIFFRACTION22chain 'C' and (resid 97 through 176 )C97 - 176
23X-RAY DIFFRACTION23chain 'C' and (resid 177 through 209 )C177 - 209
24X-RAY DIFFRACTION24chain 'C' and (resid 210 through 268 )C210 - 268
25X-RAY DIFFRACTION25chain 'E' and (resid 3 through 46 )E3 - 46
26X-RAY DIFFRACTION26chain 'E' and (resid 47 through 89 )E47 - 89
27X-RAY DIFFRACTION27chain 'E' and (resid 90 through 103 )E90 - 103
28X-RAY DIFFRACTION28chain 'E' and (resid 104 through 215 )E104 - 215
29X-RAY DIFFRACTION29chain 'F' and (resid 70 through 102 )F70 - 102
30X-RAY DIFFRACTION30chain 'F' and (resid 103 through 127 )F103 - 127
31X-RAY DIFFRACTION31chain 'F' and (resid 128 through 142 )F128 - 142
32X-RAY DIFFRACTION32chain 'F' and (resid 143 through 154 )F143 - 154
33X-RAY DIFFRACTION33chain 'H' and (resid 2 through 81 )H2 - 81
34X-RAY DIFFRACTION34chain 'H' and (resid 82 through 105 )H82 - 105
35X-RAY DIFFRACTION35chain 'H' and (resid 106 through 146 )H106 - 146
36X-RAY DIFFRACTION36chain 'I' and (resid 2 through 28 )I2 - 28
37X-RAY DIFFRACTION37chain 'I' and (resid 29 through 52 )I29 - 52
38X-RAY DIFFRACTION38chain 'I' and (resid 53 through 87 )I53 - 87
39X-RAY DIFFRACTION39chain 'I' and (resid 88 through 119 )I88 - 119
40X-RAY DIFFRACTION40chain 'J' and (resid 1 through 10 )J1 - 10
41X-RAY DIFFRACTION41chain 'J' and (resid 11 through 31 )J11 - 31
42X-RAY DIFFRACTION42chain 'J' and (resid 32 through 43 )J32 - 43
43X-RAY DIFFRACTION43chain 'J' and (resid 44 through 55 )J44 - 55
44X-RAY DIFFRACTION44chain 'J' and (resid 56 through 65 )J56 - 65
45X-RAY DIFFRACTION45chain 'K' and (resid 1 through 29 )K1 - 29
46X-RAY DIFFRACTION46chain 'K' and (resid 30 through 52 )K30 - 52
47X-RAY DIFFRACTION47chain 'K' and (resid 53 through 70 )K53 - 70
48X-RAY DIFFRACTION48chain 'K' and (resid 71 through 114 )K71 - 114
49X-RAY DIFFRACTION49chain 'L' and (resid 28 through 36 )L28 - 36
50X-RAY DIFFRACTION50chain 'L' and (resid 37 through 41 )L37 - 41
51X-RAY DIFFRACTION51chain 'L' and (resid 42 through 46 )L42 - 46
52X-RAY DIFFRACTION52chain 'L' and (resid 47 through 51 )L47 - 51
53X-RAY DIFFRACTION53chain 'L' and (resid 52 through 58 )L52 - 58
54X-RAY DIFFRACTION54chain 'L' and (resid 59 through 70 )L59 - 70

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