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

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Basic information

Entry
Database: PDB / ID: 6upx
TitleRNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 1
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/RNA/DNA / RNA polymerase II / 5-guanidinohydantoin / elongation complex / DNA lesion / TRANSCRIPTION / TRANSCRIPTION-RNA-DNA 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 / 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 / molecular replacement / Resolution: 3.4 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_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)487,51822
Polymers486,97013
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)168.988, 223.314, 193.102
Angle α, β, γ (deg.)90.000, 101.030, 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: 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: 4.28 Å3/Da / Density % sol: 71.26 %
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: 8.2.2 / Wavelength: 1.00003 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 14, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.00003 Å / Relative weight: 1
ReflectionResolution: 3.3→49.3 Å / Num. obs: 105382 / % possible obs: 100 % / Redundancy: 7.7 % / Biso Wilson estimate: 86.13 Å2 / CC1/2: 0.984 / Rmerge(I) obs: 0.428 / Rpim(I) all: 0.165 / Rrim(I) all: 0.459 / Net I/σ(I): 6.7 / Num. measured all: 811001 / Scaling rejects: 14
Reflection shellResolution: 3.3→3.36 Å / Redundancy: 7.7 % / Rmerge(I) obs: 3.818 / Num. measured all: 40721 / Num. unique obs: 5266 / CC1/2: 0.245 / Rpim(I) all: 1.468 / Rrim(I) all: 4.092 / Net I/σ(I) obs: 0.6 / % possible all: 100

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation7 Å49.3 Å
Translation7 Å49.3 Å

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Processing

Software
NameVersionClassification
PHENIX1.13refinement
XDSdata reduction
Aimless0.7.2data scaling
PHASER2.8.1phasing
PDB_EXTRACT3.25data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2E2J

2e2j


Resolution: 3.4→49.295 Å / SU ML: 0.42 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 29.45 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2662 1829 1.9 %
Rwork0.2198 94437 -
obs0.2206 96266 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 295.36 Å2 / Biso mean: 112.4971 Å2 / Biso min: 26.22 Å2
Refinement stepCycle: final / Resolution: 3.4→49.295 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28029 1036 9 0 29074
Biso mean--151.72 --
Num. residues----3597
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork
3.4-3.49190.35251410.34097236
3.4919-3.59460.35381410.31237255
3.5946-3.71060.33421390.28987202
3.7106-3.84320.33251400.2737240
3.8432-3.9970.29021410.25637274
3.997-4.17880.27531400.22067204
4.1788-4.3990.23641410.1977297
4.399-4.67440.24741400.18747262
4.6744-5.0350.28631400.19017242
5.035-5.54110.26811400.20247280
5.5411-6.34150.27161420.21947293
6.3415-7.98410.25951410.20397286
7.9841-49.2950.19461430.1817366
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)
11.30920.77920.90572.6602-0.33220.9836-0.25920.354-0.7334-0.4861-0.1882-0.4827-0.16660.49050.09180.79410.0974-0.03150.9206-0.01251.141713.390412.860639.375
20.1674-0.477-0.74011.89671.69673.5660.5156-0.10470.6192-0.3822-0.0159-0.0643-0.14950.3224-0.75052.2578-0.1067-0.292.5319-0.46193.32660.443913.459682.9151
30.0255-0.02320.00340.1363-0.25630.64970.47980.01150.5409-0.2890.34760.1536-0.0578-0.1581-0.76362.5161-0.26530.17822.4970.2552.84144.031410.02276.2093
40.39470.59870.9990.92931.56592.65750.49380.22940.2506-0.70920.17480.20580.043-0.0217-0.72512.64670.0168-0.06981.83820.76382.683735.117914.0259.8163
51.27430.2992-0.45711.22860.68950.7126-0.80470.19770.275-0.18610.302-0.4117-0.84590.68460.63171.3406-0.1162-0.21541.02040.03781.104214.825410.459939.2892
60.39470.0960.71910.00690.16681.2574-0.6553-0.08910.05620.40050.21150.20640.0681-0.14240.4571.8508-0.2338-0.03872.42180.22662.209445.285610.76774.1809
70.55220.2709-0.29050.96960.08651.21570.2914-0.03780.30530.2081-0.1254-0.6120.27260.7474-0.07420.7089-0.1905-0.34291.16810.16091.431552.784711.189440.9879
81.58720.23420.08280.5824-0.21030.88390.099-0.0132-0.06920.11510.0375-0.05860.3905-0.004-0.12750.8140.0189-0.24130.34060.02590.51766.5337-17.017635.3857
90.3977-0.38970.30161.37270.48631.34840.2319-0.1946-0.16530.21310.0047-0.07060.5345-0.2387-0.22230.8786-0.2254-0.02870.56430.13680.506-7.1247-11.79766.8991
100.2955-0.39160.12260.69950.20160.5370.2349-0.002-0.09070.5655-0.0345-0.18080.1323-0.2392-0.22750.9491-0.0633-0.01640.48460.10820.4613-2.99033.860166.2717
110.6938-0.0849-0.00941.2266-0.74671.2244-0.059-0.1123-0.2281-0.00520.18260.10810.3181-0.0558-0.13061.28790.0675-0.41820.56040.01380.833618.462-41.392763.0933
120.20730.01720.1690.25240.72142.0685-0.0156-0.17740.07990.3759-0.13250.15830.1195-0.1148-0.01441.5440.1729-0.33440.6974-0.13120.770920.0586-1.849385.4174
130.18010.67230.38892.20761.29810.69550.083-0.1030.06680.525-0.08450.0003-0.0070.0130.10351.81210.0874-0.34820.7778-0.09330.88324.54025.5815102.414
140.6473-0.06770.27630.7180.18841.6661-0.1719-0.03620.43740.52830.2153-0.3902-0.18640.39510.03361.0540.07-0.44340.5792-0.06970.864731.3579-11.650258.5988
150.88060.338-0.08741.1441-0.43650.8919-0.07960.19680.4292-0.08250.0962-0.1615-0.30350.0919-0.0230.8285-0.08370.02210.42080.11040.63870.988843.700341.5982
160.7358-0.18141.46720.30890.0443.76380.0432-0.0787-0.0350.72770.2366-0.2073-0.19610.00580.01380.982-0.1954-0.16350.4170.10650.694710.33230.496155.8269
171.640.50350.91920.53710.32341.6304-0.08-0.05950.16580.54340.115-0.1808-0.02190.1505-0.07441.1801-0.1027-0.18420.4713-0.05470.690824.405437.659778.7331
180.63760.10050.49970.30790.20851.31460.0629-0.040.06080.42440.0255-0.2257-0.1235-0.1291-0.04920.44110.01330.15130.40280.03830.4325-4.202528.068456.5217
192.11080.1567-0.59710.98240.24471.525-0.31780.3448-0.0368-0.58960.1473-0.1024-0.09310.4453-0.00510.4914-0.12290.11430.77790.0950.48188.671818.178812.1495
200.3914-0.35750.36870.4314-0.01560.48730.03510.07110.14010.1242-0.0712-0.17260.06070.08890.00830.4845-0.0969-0.01720.45090.09910.56176.4696-1.300136.2954
213.6528-0.01980.1224.4493-1.42974.2283-0.0327-0.277-0.25920.04130.11530.1889-0.0541-0.046-0.07880.4868-0.37790.00570.96270.18890.5555-44.1415-16.448829.9039
221.0877-0.40280.05220.67140.45780.4382-0.3049-0.3069-0.5538-0.60910.20870.16720.03150.1569-0.01870.4825-0.2127-0.03760.62830.13150.4889-26.9749-8.945721.7145
230.71440.6604-0.0350.86630.47971.6275-0.09230.29750.1351-0.15560.06990.2068-0.096-0.1186-0.05020.43690.01560.00560.55330.07930.3893-26.88277.569813.5476
240.50640.4388-0.49120.5108-0.28040.64240.2599-0.4497-0.33460.33030.02830.21110.0387-0.7175-0.30771.2233-0.238-0.28750.88060.1620.7227-35.9338-14.916849.7667
250.3856-0.0828-0.37233.1959-3.0343.37440.1750.0212-0.3060.33530.33420.6240.0608-0.7984-0.22570.8756-0.3391-0.16230.76930.14540.6898-39.2738-20.077840.6728
260.62870.69380.11730.8276-0.03750.4570.24490.5813-0.2181-0.48890.00580.05360.76960.0635-0.21011.2198-0.1948-0.22710.87480.01290.5609-28.6397-23.055315.3559
271.38890.002-0.64251.40350.85311.9344-0.5633-0.47010.20630.72680.535-0.44890.05970.84-0.10091.85310.3579-0.81471.2664-0.15731.208246.2699-21.565894.9052
280.62420.0788-0.62680.3359-0.21650.66920.4612-0.19420.39660.0269-0.1453-0.26060.00030.4866-0.0871.1317-0.077-0.76911.9607-0.34872.12458.4458-11.453386.3042
290.43750.0069-0.09040.64830.63981.9303-0.3495-0.2290.20610.4090.1222-0.5084-0.15410.47350.1581.14180.233-0.56150.7462-0.05340.994441.6298-22.737971.0283
300.0002-0.0071-0.00680.12640.11670.1077-0.40090.6276-0.7128-0.98330.2602-0.6220.13140.2780.03451.6295-0.06110.00551.1080.2052.003351.0967-31.410140.1119
310.50240.73670.00061.43660.72421.45830.13820.3265-0.4190.20470.3269-0.63710.73330.5888-0.31621.09880.3456-0.2370.5863-0.2030.785438.4733-39.449744.3599
321.69740.1031-0.01631.6499-0.18761.10640.24130.3627-0.14840.0224-0.0431-0.11650.45810.3882-0.25120.89450.1461-0.09660.5646-0.02010.570125.1589-30.210832.6346
331.0554-0.52410.5163.1162-0.78190.4711-0.01370.3873-0.44360.2251-0.1789-0.0232-0.0199-0.1142-0.03411.33290.2689-0.45520.9129-0.06420.765819.0323-35.566422.8679
340.56880.7345-0.51641.0072-0.71310.5051-0.07790.4966-0.4127-0.1845-0.07570.02780.2766-0.1469-0.13951.75280.1479-0.2271.0489-0.15560.757126.8804-39.97428.3205
350.54750.0211-0.36030.4165-0.0130.2940.36690.34520.42850.01860.0452-0.3297-0.32360.3222-0.24121.11220.15910.03280.8699-0.16190.814739.371-29.676341.451
363.2773-2.3189-0.72961.69020.31462.07190.0717-0.42580.18010.1915-0.13570.3003-0.0642-0.35130.13730.58340.27040.34721.0331-0.23761.017437.8609-35.697839.5354
373.91291.77993.41475.3652-1.36584.84950.12710.5719-0.2897-0.3133-0.0237-0.05520.2860.2189-0.11091.0730.25-0.25710.6785-0.02540.98227.0028-40.383238.1416
380.9508-0.3147-0.48740.4528-0.27281.02670.0829-0.1945-0.4856-0.3576-0.0904-0.38370.50280.16560.05241.0724-0.2806-0.17930.81550.36681.4151-26.6075-49.019464.481
390.36440.2280.02711.70170.55120.1837-0.1055-0.2663-0.36370.2728-0.0599-0.08820.1163-0.18950.04640.9627-0.2383-0.00071.0560.13051.0445-24.5822-33.933464.9643
400.16090.4427-0.67841.2472-1.78252.8956-0.1274-0.6018-0.96660.10890.0152-0.20060.7138-0.13160.1910.8624-0.48540.04520.78250.37621.4663-24.9635-47.158168.4986
411.62170.5564-1.7931.3428-2.61946.555-0.1147-0.5516-0.55410.18570.06410.13430.0244-0.2392-0.03841.0649-0.26760.01910.87570.30430.9352-33.5759-37.502262.3097
420.1254-0.01390.61530.7242-1.38835.5073-0.0450.2803-0.4411-0.2591-0.22840.59110.3084-0.15670.33321.2264-0.2284-0.01830.7510.15561.1026-23.796-48.993948.3816
431.7056-0.1991-0.29737.7285-3.81161.9697-0.28770.5124-0.2391-0.56140.00340.47560.7821-0.55410.43531.9522-0.8943-0.40851.03530.13741.6625-31.6408-51.180242.1762
440.61560.5521-0.9591.7858-0.26291.9217-0.17170.07660.04620.0428-0.1256-0.12940.17290.22090.35611.4152-0.3672-0.26990.83120.42221.1538-16.8425-48.35962.0644
453.0008-1.72211.12531.0307-0.54950.6389-0.3991-0.1516-0.51380.063-0.17480.31590.37380.11990.31521.1553-0.3096-0.17111.09810.61861.1486-15.0787-46.486462.3052
462.11231.4191-0.9494.159-0.31490.9539-0.218-0.4945-0.24170.7269-0.3114-0.516-0.16680.72120.81541.5762-0.4437-0.38410.81560.28411.0407-17.9305-43.980564.321
471.0149-0.68190.4591.11860.2450.6683-0.57530.1213-0.7687-0.3056-0.19330.27430.89760.09890.61851.7638-0.2048-0.10581.11270.38491.191-14.9607-55.80960.0618
480.2091-0.5296-0.64185.91182.21258.8449-0.3192-0.0613-0.37380.1382-0.56560.53820.1172-0.30930.49821.3024-0.064-0.18190.69230.30481.284-29.8023-48.489356.2579
490.35571.03280.05454.12840.98980.59160.2988-0.0716-0.0049-0.2636-0.12360.0808-0.15550.4518-0.15921.6176-0.0778-0.25970.6627-0.13290.814628.174636.9143103.7277
500.3623-0.1205-0.16450.2560.75353.01160.1722-0.3568-0.3273-0.4007-0.1374-0.00310.031-0.29680.04291.21260.0111-0.05820.64180.00660.6809-7.19528.372892.7122
513.8015-1.5876-0.13933.65820.24582.32180.2238-0.1074-0.0765-0.0322-0.0912-0.0512-0.02580.4418-0.18031.2142-0.0151-0.11690.7749-0.01820.719-2.133522.017394.8091
521.54970.73090.59542.50610.65962.9892-0.20040.14090.17230.2396-0.42270.4745-0.1666-0.3577-0.62350.0385-0.10780.25050.5650.30530.3904-32.760313.190932.4709
530.4411-0.1604-0.00250.33630.38040.5127-0.07640.0562-0.1020.062-0.11610.14010.043-0.1327-0.551-0.1044-0.04120.56641.0097-0.13470.729-37.64198.399338.1529
540.69960.1385-0.14370.2791-0.01050.26580.08380.18990.1599-0.030.068-0.04-0.00460.03810.7071-0.021-0.10260.40690.72180.15940.3972-27.027710.034136.9765
553.63810.85110.8233.62510.19261.6941-0.13970.47860.1074-0.23580.23-0.1585-0.05810.1038-0.05360.336-0.07470.3760.55540.12280.7105-19.195927.441426.8484
560.0035-0.00650.00360.0129-0.0067-0.0003-0.15590.3198-0.2340.017-0.364-0.5505-0.0944-0.61390.20280.4559-0.04570.13980.67120.05690.697-9.7735-8.413219.9774
570.8875-0.59151.34932.4258-2.51113.33960.5910.3291-0.2152-0.43990.12-0.86840.41040.2768-0.03630.5272-0.0330.10970.7625-0.02550.8026-12.981-24.907215.3614
580.26440.1249-0.4070.1954-0.20310.71850.3044-0.7606-0.51610.4593-0.0974-0.23530.3060.2689-0.13751.5271-0.0947-0.10171.2725-0.00141.0585-11.2245-43.19228.1364
590.46131.0371-0.37112.9192-0.33443.19570.75530.0951-0.22660.0207-0.36160.62850.5023-0.1918-0.3740.877-0.0337-0.21620.5472-0.08820.5779-20.9017-26.995325.2733
600.71641.74891.09456.30613.33661.94370.63930.448-0.4951-0.1687-0.29360.85890.8946-0.5981-0.65411.0417-0.2248-0.47630.84190.061.5602-30.0758-39.574830.1676
611.9571.2047-1.14132.2327-0.57440.6780.5361-0.0199-0.40420.02910.38020.10930.18660.1596-0.34771.069-0.201-0.33460.88880.02640.5509-19.5377-33.728331.2647
625.77271.3980.24760.3405-0.00814.6828-0.11090.184-0.1438-0.25140.0553-0.22550.196-0.01380.0741.15120.0707-0.2410.5437-0.08310.614-10.0033-18.532828.1733
631.6646-0.60230.35610.85470.68811.93640.2980.593-0.55960.36140.05020.49820.9133-0.36870.12710.5447-0.3642-0.13060.62950.11580.8646-32.7955-27.964623.0879
641.84950.25392.5230.2260.66174.2160.2497-0.7871.01270.072-0.10170.4007-1.2502-0.6295-0.20432.19140.2005-0.12381.4991-0.02991.5872-7.634233.115212.3143
652.81362.91571.45563.02451.3417.2124-0.2771-0.505-0.03730.0349-0.0396-0.33350.360.5450.08131.6651-0.0673-0.12462.11260.53121.5466-4.63133.09845.1931
660.04390.0556-0.01250.0748-0.0010.05660.00320.4987-0.1265-0.4748-0.11060.02130.0716-0.18010.03682.3542-0.47220.48532.4572-0.03551.75364.372334.81115.8762
675.53761.62686.4270.5571.85217.47440.1285-1.17180.66590.40020.38810.4109-0.4183-0.6114-0.27651.8382-0.1366-0.04272.25730.82882.2742-4.409240.891811.5518
685.18554.97722.0577.55791.45392.7257-0.3437-0.91460.83250.2123-0.32180.3299-1.51020.17180.41571.4806-0.1389-0.44731.16610.00050.6456-2.703733.891315.5913
691.73672.2458-1.42062.8897-1.83761.1642-0.3330.2330.2362-0.3984-0.1542-0.0743-0.50150.2840.4230.86020.2745-0.06641.04220.15250.5672-11.553611.55310.149
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 3 through 7 )T3 - 7
3X-RAY DIFFRACTION3chain 'T' and (resid 8 through 12 )T8 - 12
4X-RAY DIFFRACTION4chain 'T' and (resid 13 through 17 )T13 - 17
5X-RAY DIFFRACTION5chain 'T' and (resid 18 through 28 )T18 - 28
6X-RAY DIFFRACTION6chain 'N' and (resid 2 through 16 )N2 - 16
7X-RAY DIFFRACTION7chain 'A' and (resid 3 through 304 )A3 - 304
8X-RAY DIFFRACTION8chain 'A' and (resid 305 through 608 )A305 - 608
9X-RAY DIFFRACTION9chain 'A' and (resid 609 through 736 )A609 - 736
10X-RAY DIFFRACTION10chain 'A' and (resid 737 through 844 )A737 - 844
11X-RAY DIFFRACTION11chain 'A' and (resid 845 through 1077 )A845 - 1077
12X-RAY DIFFRACTION12chain 'A' and (resid 1078 through 1154 )A0
13X-RAY DIFFRACTION13chain 'A' and (resid 1155 through 1316 )A0
14X-RAY DIFFRACTION14chain 'A' and (resid 1317 through 1446 )A0
15X-RAY DIFFRACTION15chain 'B' and (resid 20 through 191 )B20 - 191
16X-RAY DIFFRACTION16chain 'B' and (resid 192 through 251 )B192 - 251
17X-RAY DIFFRACTION17chain 'B' and (resid 252 through 408 )B252 - 408
18X-RAY DIFFRACTION18chain 'B' and (resid 409 through 852 )B409 - 852
19X-RAY DIFFRACTION19chain 'B' and (resid 853 through 956 )B853 - 956
20X-RAY DIFFRACTION20chain 'B' and (resid 957 through 1221 )B957 - 1221
21X-RAY DIFFRACTION21chain 'C' and (resid 2 through 26 )C2 - 26
22X-RAY DIFFRACTION22chain 'C' and (resid 27 through 51 )C27 - 51
23X-RAY DIFFRACTION23chain 'C' and (resid 52 through 175 )C52 - 175
24X-RAY DIFFRACTION24chain 'C' and (resid 176 through 209 )C176 - 209
25X-RAY DIFFRACTION25chain 'C' and (resid 210 through 239 )C210 - 239
26X-RAY DIFFRACTION26chain 'C' and (resid 240 through 268 )C240 - 268
27X-RAY DIFFRACTION27chain 'E' and (resid 3 through 89 )E3 - 89
28X-RAY DIFFRACTION28chain 'E' and (resid 90 through 130 )E90 - 130
29X-RAY DIFFRACTION29chain 'E' and (resid 131 through 215 )E131 - 215
30X-RAY DIFFRACTION30chain 'F' and (resid 69 through 73 )F69 - 73
31X-RAY DIFFRACTION31chain 'F' and (resid 74 through 83 )F74 - 83
32X-RAY DIFFRACTION32chain 'F' and (resid 84 through 102 )F84 - 102
33X-RAY DIFFRACTION33chain 'F' and (resid 103 through 126 )F103 - 126
34X-RAY DIFFRACTION34chain 'F' and (resid 127 through 132 )F127 - 132
35X-RAY DIFFRACTION35chain 'F' and (resid 133 through 142 )F133 - 142
36X-RAY DIFFRACTION36chain 'F' and (resid 143 through 147 )F143 - 147
37X-RAY DIFFRACTION37chain 'F' and (resid 148 through 154 )F148 - 154
38X-RAY DIFFRACTION38chain 'H' and (resid 2 through 16 )H2 - 16
39X-RAY DIFFRACTION39chain 'H' and (resid 17 through 30 )H17 - 30
40X-RAY DIFFRACTION40chain 'H' and (resid 31 through 43 )H31 - 43
41X-RAY DIFFRACTION41chain 'H' and (resid 44 through 53 )H44 - 53
42X-RAY DIFFRACTION42chain 'H' and (resid 54 through 82 )H54 - 82
43X-RAY DIFFRACTION43chain 'H' and (resid 83 through 92 )H83 - 92
44X-RAY DIFFRACTION44chain 'H' and (resid 93 through 111 )H93 - 111
45X-RAY DIFFRACTION45chain 'H' and (resid 112 through 118 )H112 - 118
46X-RAY DIFFRACTION46chain 'H' and (resid 119 through 127 )H119 - 127
47X-RAY DIFFRACTION47chain 'H' and (resid 128 through 140 )H128 - 140
48X-RAY DIFFRACTION48chain 'H' and (resid 141 through 146 )H141 - 146
49X-RAY DIFFRACTION49chain 'I' and (resid 2 through 52 )I2 - 52
50X-RAY DIFFRACTION50chain 'I' and (resid 53 through 79 )I53 - 79
51X-RAY DIFFRACTION51chain 'I' and (resid 80 through 119 )I80 - 119
52X-RAY DIFFRACTION52chain 'J' and (resid 1 through 31 )J1 - 31
53X-RAY DIFFRACTION53chain 'J' and (resid 32 through 43 )J32 - 43
54X-RAY DIFFRACTION54chain 'J' and (resid 44 through 56 )J44 - 56
55X-RAY DIFFRACTION55chain 'J' and (resid 57 through 65 )J57 - 65
56X-RAY DIFFRACTION56chain 'K' and (resid 1 through 9 )K1 - 9
57X-RAY DIFFRACTION57chain 'K' and (resid 10 through 23 )K10 - 23
58X-RAY DIFFRACTION58chain 'K' and (resid 24 through 29 )K24 - 29
59X-RAY DIFFRACTION59chain 'K' and (resid 30 through 50 )K30 - 50
60X-RAY DIFFRACTION60chain 'K' and (resid 51 through 55 )K51 - 55
61X-RAY DIFFRACTION61chain 'K' and (resid 56 through 62 )K56 - 62
62X-RAY DIFFRACTION62chain 'K' and (resid 63 through 69 )K63 - 69
63X-RAY DIFFRACTION63chain 'K' and (resid 70 through 114 )K70 - 114
64X-RAY DIFFRACTION64chain 'L' and (resid 28 through 36 )L28 - 36
65X-RAY DIFFRACTION65chain 'L' and (resid 37 through 41 )L37 - 41
66X-RAY DIFFRACTION66chain 'L' and (resid 42 through 46 )L42 - 46
67X-RAY DIFFRACTION67chain 'L' and (resid 47 through 51 )L47 - 51
68X-RAY DIFFRACTION68chain 'L' and (resid 52 through 58 )L52 - 58
69X-RAY DIFFRACTION69chain 'L' and (resid 59 through 70 )L59 - 70

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