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- PDB-5c4x: Crystal structure of a transcribing RNA Polymerase II complex rev... -

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Basic information

Entry
Database: PDB / ID: 5c4x
TitleCrystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 7
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
  • NON-TEMPLATE STRAND DNA (38-MER)
  • RNA (5'-R(P*UP*CP*GP*AP*GP*AP*GP*GP*A)-3')
  • TEMPLATE STRAND DNA (40-MER)
KeywordsTRANSFERASE/RNA/DNA / protein-DNA complex / RNA Polymerase II / transcribing complex / transcription bubble / TRANSFERASE-RNA-DNA complex
Function / homology
Function and homology information


RPB4-RPB7 complex / : / nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / RNA Polymerase I Transcription Initiation / : / positive regulation of nuclear-transcribed mRNA poly(A) tail shortening / 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 ...RPB4-RPB7 complex / : / nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / RNA Polymerase I Transcription Initiation / : / positive regulation of nuclear-transcribed mRNA poly(A) tail shortening / 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 / positive regulation of translational initiation / 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 / translation initiation factor binding / transcription elongation by RNA polymerase II / P-body / DNA-templated transcription initiation / transcription initiation at RNA polymerase II promoter / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / peroxisome / cytoplasmic stress granule / single-stranded DNA binding / ribosome biogenesis / transcription by RNA polymerase II / single-stranded RNA binding / nucleic acid binding / protein dimerization activity / nucleotide binding / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
RNA Polymerase II, Rpb4 subunit / RNA polymerase Rpb7-like, N-terminal domain / Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; 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 ...RNA Polymerase II, Rpb4 subunit / RNA polymerase Rpb7-like, N-terminal domain / Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; 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 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 / RNA polymerase Rpb2, domain 2 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; Domain 6 / DNA-directed RNA polymerase, subunit 2, domain 6 / RNA polymerase II, Rpb2 subunit, wall domain / 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 / Growth Hormone; Chain: A; / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / DNA-directed RNA polymerase II subunit Rpb4-like / RNA polymerase Rpb4/RPC9, core / DNA-directed RNA-polymerase II subunit / 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 / Rpb4/RPC9 superfamily / RNA polymerase subunit Rpb4/RPC9 / RNA polymerase Rpb4 / Gyrase A; domain 2 / Zinc finger TFIIS-type signature. / HRDC-like superfamily / RNA polymerase subunit Rpb7-like / RNA polymerase Rpb7-like , N-terminal / RNA polymerase Rpb7-like, N-terminal domain superfamily / SHS2 domain found in N terminus of Rpb7p/Rpc25p/MJ0397 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / 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 / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / 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. / 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. / Homeodomain-like / Ribosomal protein S1-like RNA-binding domain / S1 RNA binding domain / S1 domain / Single Sheet
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 polymerase II subunit RPB4 / 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 / DNA-directed RNA polymerase II subunit RPB1 / DNA-directed RNA polymerase II subunit RPB2 / DNA-directed RNA polymerase II subunit RPB3 / DNA-directed RNA polymerase II subunit RPB4 / 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 RPB7 / 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: 4 Å
AuthorsBarnes, C.O. / Calero, M. / Malik, I. / Spahr, H. / Zhang, Q. / Pullara, F. / Kaplan, C.D. / Calero, G.
CitationJournal: Mol.Cell / Year: 2015
Title: Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble.
Authors: Barnes, C.O. / Calero, M. / Malik, I. / Graham, B.W. / Spahr, H. / Lin, G. / Cohen, A.E. / Brown, I.S. / Zhang, Q. / Pullara, F. / Trakselis, M.A. / Kaplan, C.D. / Calero, G.
History
DepositionJun 18, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 26, 2015Provider: repository / Type: Initial release
Revision 1.1Sep 27, 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 / citation / database_2 / pdbx_initial_refinement_model / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation

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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
D: DNA-directed RNA polymerase II subunit RPB4
E: DNA-directed RNA polymerases I, II, and III subunit RPABC1
F: DNA-directed RNA polymerases I, II, and III subunit RPABC2
G: DNA-directed RNA polymerase II subunit RPB7
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 (5'-R(P*UP*CP*GP*AP*GP*AP*GP*GP*A)-3')
S: NON-TEMPLATE STRAND DNA (38-MER)
U: TEMPLATE STRAND DNA (40-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)551,41326
Polymers550,77615
Non-polymers63711
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)220.790, 393.360, 281.600
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221

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Components

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DNA-directed RNA polymerase II subunit ... , 7 types, 7 molecules ABCDGIK

#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
#4: Protein DNA-directed RNA polymerase II subunit RPB4 / Polymerase / RNA polymerase II subunit B4 / B32 / DNA-directed RNA polymerase II 32 kDa polypeptide


Mass: 25451.191 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: RPB4, YJL140W, J0654 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: P20433
#7: Protein DNA-directed RNA polymerase II subunit RPB7 / Polymerase / RNA polymerase II subunit B7 / B16


Mass: 20152.207 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: RPB7, YDR404C, D9509.22 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: P34087
#9: Protein DNA-directed RNA polymerase II subunit RPB9 / Polymerase / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA- ...RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9


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


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

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

#5: 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
#6: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 ...RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / and III 23 kDa polypeptide


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


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


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


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

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RNA chain , 1 types, 1 molecules R

#13: RNA chain RNA (5'-R(P*UP*CP*GP*AP*GP*AP*GP*GP*A)-3')


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 SU

#14: DNA chain NON-TEMPLATE STRAND DNA (38-MER)


Mass: 16435.525 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#15: DNA chain TEMPLATE STRAND DNA (40-MER)


Mass: 16176.401 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 2 types, 11 molecules

#16: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Zn
#17: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg

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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: 5.53 Å3/Da / Density % sol: 77.76 %
Crystal growTemperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: PEG 4000, SODIUM CITRATE, MES, DTT

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.979 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 12, 2008
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 4→50 Å / Num. all: 103153 / Num. obs: 103153 / % possible obs: 97.3 % / Redundancy: 3.8 % / Biso Wilson estimate: 115.64 Å2 / Rsym value: 0.091 / Net I/σ(I): 12.5
Reflection shellResolution: 4→4.1 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.42 / Mean I/σ(I) obs: 1.95 / % possible all: 96.4

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Processing

Software
NameVersionClassification
BUSTER2.10.2refinement
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3FKI
Resolution: 4→40 Å / Cor.coef. Fo:Fc: 0.9115 / Cor.coef. Fo:Fc free: 0.8985 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.514
RfactorNum. reflection% reflectionSelection details
Rfree0.2272 2990 3 %RANDOM
Rwork0.2098 ---
obs0.2103 99551 96.54 %-
Displacement parametersBiso mean: 196.34 Å2
Baniso -1Baniso -2Baniso -3
1-23.6113 Å20 Å20 Å2
2--39.4149 Å20 Å2
3----63.0262 Å2
Refine analyzeLuzzati coordinate error obs: 0.576 Å
Refinement stepCycle: LAST / Resolution: 4→40 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms31693 1795 11 0 33499
Refine LS restraints
Refine-IDTypeDev idealNumberRestraint functionWeight
X-RAY DIFFRACTIONt_bond_d0.0141622HARMONIC2
X-RAY DIFFRACTIONt_angle_deg1.1359881HARMONIC2
X-RAY DIFFRACTIONt_dihedral_angle_d12435SINUSOIDAL2
X-RAY DIFFRACTIONt_incorr_chiral_ct
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_trig_c_planes882HARMONIC2
X-RAY DIFFRACTIONt_gen_planes9328HARMONIC5
X-RAY DIFFRACTIONt_it41622HARMONIC20
X-RAY DIFFRACTIONt_nbd4SEMIHARMONIC5
X-RAY DIFFRACTIONt_omega_torsion2.41
X-RAY DIFFRACTIONt_other_torsion22.9
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_chiral_improper_torsion4519SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact53370SEMIHARMONIC4
LS refinement shellResolution: 4→4.1 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2403 217 3.01 %
Rwork0.262 7004 -
all0.2613 7221 -
obs--95.3 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.04350.28560.23654.25210.01540.03660.00480.02690.1150.021-0.0203-0.02850.01610.09770.0155-0.17360.15150.0492-0.2237-0.03560.157278.3776101.336-2.1931
20.448-0.5134-0.030.24340.11250.17420.00040.00070.0067-0.00240.0001-0.00450.0018-0.0071-0.00050.02220.0041-0.00930.00640.00590.034869.504968.9459-2.3764
30.11180.14770.05970.17930.13060.2353-0.00040.0018-0.0018-0.00210-0.002-0.0016-0.00090.00040.01710.0107-0.00560.0143-0.0040.015961.554881.2008-21.8622
40.0973-0.0402-0.11130.29310.10.1143-0.0006-0.0023-0.0030.00140.0011-0.003500.0083-0.00050.01450.0203-0.00640.01180.01480.018286.14765.1375-0.5135
50.3662-0.17110.02210.7981-0.19810.2188-0.0207-0.03630.11210.3158-0.01060.2160.0024-0.00180.03130.0609-0.02810.1324-0.1811-0.0661-0.135197.662742.820817.8998
60.41440.29090.03250.96780.09250.32210.01730.12380.3111-0.1468-0.06880.0115-0.05680.09230.0514-0.1657-0.03190.066-0.2410.14020.2904130.9873.6904-10.6035
70.0371-0.2599-0.50250-0.18410.67420.00810.06830.0105-0.0943-0.0024-0.05870.0562-0.0389-0.0057-0.07310.10920.05160.0740.1101-0.1118114.37241.9637-32.4123
80.46140.29870.22030.8266-0.12850.61550.00470.11230.15610.0021-0.05640.0431-0.1046-0.13880.0517-0.08910.05920.03230.1260.1302-0.096893.982853.0743-38.8793
91.99811.06851.82331.09960.58251.8045-0.0029-0.0175-0.00080.0233-0.0059-0.0143-0.02270.00860.00880.058-0.1232-0.13060.0528-0.03810.0226152.33351.687737.0711
100.1247-0.59210.10680.1055-0.38490-0.0015-0.01110.0054-0.0186-0.00330.02120.0093-0.02140.00490.0930.00550.0892-0.0214-0.0123-0.040990.671125.544337.7059
110-0.3891.83750.5498-0.62010.55430.0090.01020.00610.0341-0.02-0.038-0.01660.05460.01110.06370.0791-0.03670.04640.0848-0.0573131.47217.207728.5022
120.28131.43390.13470.8235-2.505500.00190.0093-0.00850.0142-0.01290.0098-0.0127-0.01020.0110.0195-0.0750.0023-0.00920.03080.029476.47269.4259.03
130.6751-0.23910.04190.4776-0.79180.6204-0.0004-0.00670.00130.0003-0.00250.0027-0.0047-0.00720.00290.03080.0064-0.01110.0372-0.0140.021670.093855.854-20.0189
142.6111-0.7987-0.03821.6592.07121.84740.00270.0042-0.0004-0.0069-0.0080.0103-0.001-0.00820.00530.06260.0072-0.0090.0723-0.01420.061995.115190.0449-31.0705
151.2107-0.78240.1371.07070.24271.91130.0007-0.0129-0.0042-0.0116-0.00870.00270.0029-0.00560.0080.08170.0101-0.01660.0806-0.00670.058559.982424.4878-28.6142
161.5947-0.0351.36140.94990.92520.37970.0050.02290.0148-0.00520.00360.0092-0.0258-0.0171-0.00860.02030.0017-0.01710.0026-0.00610.028793.33946.7817-6.9532
171.29861.41620.47431.12480.07830.25990.00010.0498-0.0025-0.0575-0.00410.0126-0.034-0.05630.00390.03980.01890.00210.004-0.00020.061945.558449.125-8.4579
180-0.14120.09290-0.23790-0.0011-0.016-0.0023-0.0010.0254-0.01580.0185-0.0176-0.0243-0.008-0.00750.0036-0.0343-0.0094-0.014396.870255.5337-13.7948
190.0107-0.0091-0.04530.10060.04040.1015-0.00010.00120.00050.0006-0.00030.0013-0.0019-0.00250.00040.00940.0075-0.00220.01-0.00360.006872.413536.7695-17.2604
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|1142 - A|1274 B|257 - B|325 B|352 - B|400 }A1142 - 1274
2X-RAY DIFFRACTION1{ A|1142 - A|1274 B|257 - B|325 B|352 - B|400 }B257 - 325
3X-RAY DIFFRACTION1{ A|1142 - A|1274 B|257 - B|325 B|352 - B|400 }B352 - 400
4X-RAY DIFFRACTION2{ B|237 - B|256 }B237 - 256
5X-RAY DIFFRACTION3{ B|328 - B|349 }B328 - 349
6X-RAY DIFFRACTION4{ B|501 - B|512 }B501 - 512
7X-RAY DIFFRACTION5{ A|347 - A|808 B|20 - B|61 B|98 - B|121 B|178 - B|236 }A347 - 808
8X-RAY DIFFRACTION5{ A|347 - A|808 B|20 - B|61 B|98 - B|121 B|178 - B|236 }B20 - 61
9X-RAY DIFFRACTION5{ A|347 - A|808 B|20 - B|61 B|98 - B|121 B|178 - B|236 }B98 - 121
10X-RAY DIFFRACTION5{ A|347 - A|808 B|20 - B|61 B|98 - B|121 B|178 - B|236 }B178 - 236
11X-RAY DIFFRACTION6{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 }A809 - 1141
12X-RAY DIFFRACTION6{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 }A1275 - 1394
13X-RAY DIFFRACTION6{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 }E2 - 215
14X-RAY DIFFRACTION7{ A|1395 - A|1453 B|1151 - B|1224 }A1395 - 1453
15X-RAY DIFFRACTION7{ A|1395 - A|1453 B|1151 - B|1224 }B1151 - 1224
16X-RAY DIFFRACTION8{ A|2 - A|346 }A2 - 346
17X-RAY DIFFRACTION9{ H|1 - H|146 }H1 - 146
18X-RAY DIFFRACTION10{ J|1 - J|66 J|101 - J|101 }J1 - 66
19X-RAY DIFFRACTION10{ J|1 - J|66 J|101 - J|101 }J101
20X-RAY DIFFRACTION11{ K|1 - K|115 }K1 - 115
21X-RAY DIFFRACTION12{ L|27 - L|70 L|101 - L|101 }L27 - 70
22X-RAY DIFFRACTION12{ L|27 - L|70 L|101 - L|101 }L101
23X-RAY DIFFRACTION13{ S|11 - S|19 }S11 - 19
24X-RAY DIFFRACTION14{ S|25 - S|39 U|1 - U|11 }S25 - 39
25X-RAY DIFFRACTION14{ S|25 - S|39 U|1 - U|11 }U1 - 11
26X-RAY DIFFRACTION15{ S|1 - S|10 U|31 - U|39 }S1 - 10
27X-RAY DIFFRACTION15{ S|1 - S|10 U|31 - U|39 }U31 - 39
28X-RAY DIFFRACTION16{ R|2 - R|10 U|12 - U|26 }R2 - 10
29X-RAY DIFFRACTION16{ R|2 - R|10 U|12 - U|26 }U12 - 26
30X-RAY DIFFRACTION17{ B|62 - B|97 B|122 - B|177 }B62 - 97
31X-RAY DIFFRACTION17{ B|62 - B|97 B|122 - B|177 }B122 - 177
32X-RAY DIFFRACTION18{ A|1801 - A|1804 I|201 - I|202 C|402 - C|402 B|1301 - B|1301 }A1801 - 1804
33X-RAY DIFFRACTION18{ A|1801 - A|1804 I|201 - I|202 C|402 - C|402 B|1301 - B|1301 }I201 - 202
34X-RAY DIFFRACTION18{ A|1801 - A|1804 I|201 - I|202 C|402 - C|402 B|1301 - B|1301 }C402
35X-RAY DIFFRACTION18{ A|1801 - A|1804 I|201 - I|202 C|402 - C|402 B|1301 - B|1301 }B1301
36X-RAY DIFFRACTION19{ U|27 - U|30 }U27 - 30

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