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- PDB-3qt1: RNA polymerase II variant containing A Chimeric RPB9-C11 subunit -

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Basic information

Entry
Database: PDB / ID: 3qt1
TitleRNA polymerase II variant containing A Chimeric RPB9-C11 subunit
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 7
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
KeywordsTRANSFERASE / TRANSCRIPTION / TRANSFERASE-TRANSCRIPTION COMPLEX / RNA POLYMERASE II / ELONGATION / mRNA CLEAVAGE
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
Pol III subunit C11, C-terminal zinc ribbon / 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 ...Pol III subunit C11, C-terminal zinc ribbon / 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 / 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. / Ribosomal protein S1-like RNA-binding domain / S1 RNA binding domain / S1 domain / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RNA polymerase Rpb1, clamp domain superfamily / RPB6/omega subunit-like superfamily / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 4 / RNA polymerase, N-terminal / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase I subunit A N-terminus / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 5 / RNA polymerase, beta subunit, protrusion / RNA polymerase beta subunit / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain
Similarity search - Domain/homology
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 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 / DNA-directed RNA polymerase III subunit RPC10
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.3 Å
AuthorsRuan, W. / Lehmann, E. / Thomm, M. / Kostrewa, D. / Cramer, P.
CitationJournal: J.Biol.Chem. / Year: 2011
Title: Evolution of two modes of intrinsic RNA polymerase transcript cleavage.
Authors: Ruan, W. / Lehmann, E. / Thomm, M. / Kostrewa, D. / Cramer, P.
History
DepositionFeb 22, 2011Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Mar 23, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Aug 23, 2017Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software

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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, DNA-directed RNA polymerase III subunit RPC10
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)515,53720
Polymers515,05512
Non-polymers4828
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area61600 Å2
ΔGint-284 kcal/mol
Surface area156190 Å2
MethodPISA
Unit cell
Length a, b, c (Å)222.380, 393.380, 281.430
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 / RPB1 / RNA polymerase II subunit 1 / RNA polymerase II subunit B1 / DNA-directed RNA polymerase III ...RPB1 / RNA polymerase II subunit 1 / 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 (brewer's yeast) / References: UniProt: P04050, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase II subunit RPB2 / Polymerase / 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 (brewer's yeast) / References: UniProt: P08518, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase II subunit RPB3 / Polymerase / RPB3 / RNA polymerase II subunit 3 / RNA polymerase II subunit B3 / B44.5 / DNA-directed RNA ...RPB3 / RNA polymerase II subunit 3 / 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 (brewer's yeast) / References: UniProt: P16370, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase II subunit RPB4 / Polymerase / RPB4 / RNA polymerase II subunit B4 / B32 / DNA-directed RNA polymerase II 32 kDa polypeptide


Mass: 25205.891 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P20433, DNA-directed RNA polymerase
#7: Protein DNA-directed RNA polymerase II subunit RPB7 / Polymerase / RPB7 / RNA polymerase II subunit B7 / B16


Mass: 19081.053 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P34087, DNA-directed RNA polymerase
#9: Protein DNA-directed RNA polymerase II subunit RPB9, DNA-directed RNA polymerase III subunit RPC10 / Polymerase / RPB9 / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / ...RPB9 / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9 / C11


Mass: 15450.333 Da / Num. of mol.: 1
Fragment: RPB9 (UNP RESIDUES 1-86), C11 (UNP RESIDUES 87-113)
Source method: isolated from a genetically manipulated source
Details: CHIMERIC PROTEIN CONSISTING OF RPB9 (N-TERMINAL DOMAIN, residues 1-87) FROM RNA POLYMERASE II AND C11 (C-TERMINAL DOMAIN, residuyes 85-110) FROM RNA POLYMERASE III
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: RPB9, YGL070C / Plasmid: pET28b+ / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
References: UniProt: P27999, UniProt: Q04307, DNA-directed RNA polymerase
#11: Protein DNA-directed RNA polymerase II subunit RPB11 / Polymerase / 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 (brewer's yeast) / References: UniProt: P38902, DNA-directed RNA polymerase

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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 / RPB5 / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / II ...RPB5 / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / II / and III 27 kDa polypeptide


Mass: 25117.094 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P20434, DNA-directed RNA polymerase
#6: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RPB6 / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / II ...RPB6 / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / II / and III 23 kDa polypeptide


Mass: 17931.834 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P20435, DNA-directed RNA polymerase
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / RNA polymerase / RPB8 / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA ...RPB8 / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I / II / 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 (brewer's yeast) / References: UniProt: P20436, DNA-directed RNA polymerase
#10: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / RNA polymerase / RPB10 / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA ...RPB10 / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I / II / 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 (brewer's yeast) / References: UniProt: P22139, DNA-directed RNA polymerase
#12: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase / RPB12 / 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 (brewer's yeast) / References: UniProt: P40422, DNA-directed RNA polymerase

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Non-polymers , 2 types, 8 molecules

#13: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Zn
#14: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / 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: 5.97 Å3/Da / Density % sol: 79.41 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 200mM ammonium acetate, 300mM SODIUM ACETATE, 50mM Hepes pH 7.0, 5-6% PEG 6000, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1.2664 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Nov 15, 2009
RadiationMonochromator: Fixed-exit LN2 cooled Double Crystal Monochromator, Si(111)
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.2664 Å / Relative weight: 1
ReflectionResolution: 4.3→48.657 Å / Num. all: 313148 / Num. obs: 313148 / % possible obs: 98.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.8 %
Reflection shellResolution: 4.3→4.4 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.103 / Mean I/σ(I) obs: 2.1 / Num. unique all: 6065 / % possible all: 99

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Processing

Software
NameVersionClassification
XDSdata scaling
PHASERphasing
PHENIX(phenix.refine: 1.6.1_357)refinement
XDSdata reduction
XSCALEdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 4.3→48.6 Å / SU ML: 0.58 / σ(F): 1.99 / Stereochemistry target values: Engh & Huber
RfactorNum. reflection% reflectionSelection details
Rfree0.281 2022 2.45 %RANDOM
Rwork0.2352 ---
all0.2363 313148 --
obs0.2363 313148 98.52 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 102.308 Å2 / ksol: 0.292 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--17.0173 Å2-0 Å20 Å2
2---28.1785 Å20 Å2
3---45.1958 Å2
Refinement stepCycle: LAST / Resolution: 4.3→48.6 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms30527 0 8 0 30535
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01132363
X-RAY DIFFRACTIONf_angle_d1.09941959
X-RAY DIFFRACTIONf_dihedral_angle_d18.69411846
X-RAY DIFFRACTIONf_chiral_restr0.0754718
X-RAY DIFFRACTIONf_plane_restr0.0045437
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
4.3-4.40750.3131520.2879569799
4.4075-4.52650.35611380.282573199
4.5265-4.65960.33471560.2774565098
4.6596-4.80990.3141380.2579570698
4.8099-4.98170.27541570.2396569899
4.9817-5.18090.23341480.2261571399
5.1809-5.41640.25631240.227576399
5.4164-5.70160.29761340.2184575699
5.7016-6.05820.28571380.2173578799
6.0582-6.52490.27081580.2056575799
6.5249-7.17970.26681480.188578799
7.1797-8.21430.22871430.1598580499
8.2143-10.33280.18241520.1376576898
10.3328-48.66050.24491360.2272588096
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)
10.0578-0.2039-0.220.7741-0.14680.33730.07060.1140.23860.1139-0.07410.00310.0227-0.0472-0.00010.2041-0.0152-0.0020.42620.0450.4356109.022249.5756133.0939
20.84-0.32720.361.1224-0.1312-0.05830.061-0.06260.5388-0.0248-0.0068-0.3612-0.0519-0.01290.00080.1905-0.06730.1210.28550.17180.8913124.464277.2334136.0605
30.2876-0.5906-0.05050.6573-0.4852-0.06090.0129-0.10060.24330.3461-0.02080.6281-0.0413-0.0645-0.00050.75760.08070.25960.5012-0.13210.988878.671752.1852153.6247
41.1505-0.10490.18230.52470.3720.3860.23220.390.8135-0.0625-0.0391-0.39130.4121-0.44890.11180.2640.1253-0.21910.4869-0.0392-0.1063110.3437.3547113.6577
50.65880.32070.45990.21850.02660.0769-0.3388-0.25440.40510.68290.09590.03490.29950.1125-0.22371.1795-0.01820.41350.78130.0398-0.6363110.219415.9118177.5095
60.13740.11180.13410.17540.05140.1479-0.4245-0.05980.51480.42120.56080.5229-0.83160.1676-0.00770.92810.01570.1921.11650.04570.3839130.357737.828383.2866
70.44090.016-0.03230.56650.38050.30690.17370.4883-1.0269-0.2470.1288-0.33650.36670.52440.02020.73020.16080.10211.23850.010.447139.761726.03371.3672
80.74010.09950.56530.1806-0.05230.4282-0.15040.13380.6147-0.5857-0.09780.1056-0.06750.17330.00020.5614-0.02640.15710.55040.46541.7141127.767393.0844115.4707
90.28060.0589-0.01690.17740.2080.24820.2134-0.05740.45610.2884-0.2074-0.541-0.02350.6170.00010.55010.05520.03640.55790.07090.6861139.982435.4591123.6655
100.136-0.0526-0.03620.01870.01210.07950.6226-0.13-0.2183-0.29560.40220.22470.17560.09870.0010.5995-0.1023-0.05480.8928-0.01951.2141140.2245.721117.554
110.2362-0.2195-0.05410.40930.33750.29-0.0130.09220.49880.7419-0.55390.31490.29720.2043-0.00870.49340.3765-0.02250.91220.19680.3082134.23429.020397.4222
120.2593-0.0259-0.14550.05530.03050.205-0.2078-0.14950.04620.3251-0.46830.3904-0.02650.2195-0.00790.4780.2110.05760.6441-0.21640.2879120.014218.27966.0888
130.2266-0.03190.0270.0719-0.04030.0653-0.0994-0.1870.04670.08630.19230.1146-0.17060.006501.6387-0.1287-0.74031.34540.05321.102151.402451.8689178.7626
14-0.0002-0.0042-0.00190.00340.0003-0.00210.01480.1277-0.20860.10980.2923-0.14640.12190.074101.6261-0.3339-0.54251.855-0.06441.7703158.950450.9594175.0466
150.07080.0197-0.0090.0894-0.04380.00780.07950.06660.50240.0612-0.6617-0.29470.27140.0331-0.00050.59930.17280.29330.5947-0.11972.184468.9216110.5076137.308
160.24820.2555-0.08220.293-0.07280.09750.03060.59060.179-0.5536-0.04130.13250.3415-0.1153-0.04361.59260.28470.49190.81340.0168-0.017591.921125.0695182.3862
170.1074-0.023-0.08880.0741-0.06370.1540.15550.0287-0.2737-0.0177-0.0002-0.173-0.30110.45740.0011.5526-0.10630.57690.91770.15930.906189.327326.7177173.7517
180.13410.01440.03710.26790.1680.10820.00420.1496-0.34340.08680.3324-0.3362-0.03450.07990.00731.08070.1835-0.30020.91980.21950.2963131.559917.024169.4219
19-0.0010.00680.01030.04120.04850.03840.1533-0.02890.23260.5142-0.46281.25970.9156-0.2919-0.00020.8474-0.28040.14261.01540.18321.612275.4579.8807150.0662
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain A and resseq 2:825
2X-RAY DIFFRACTION2chain A and resseq 826:1455
3X-RAY DIFFRACTION3chain B and resseq 20:1103
4X-RAY DIFFRACTION4chain B and resseq 1104:1224
5X-RAY DIFFRACTION5chain C
6X-RAY DIFFRACTION6chain D and resseq 4:66
7X-RAY DIFFRACTION7chain D and resseq 67:221
8X-RAY DIFFRACTION8chain E
9X-RAY DIFFRACTION9chain F and resseq 72:130
10X-RAY DIFFRACTION10chain F and resseq 131:155
11X-RAY DIFFRACTION11chain G and resseq 1:80
12X-RAY DIFFRACTION12chain G and resseq 81:171
13X-RAY DIFFRACTION13chain H and resseq 2:128
14X-RAY DIFFRACTION14chain H and resseq 129:146
15X-RAY DIFFRACTION15chain I and resseq 1:48
16X-RAY DIFFRACTION16chain J and resseq 1:40
17X-RAY DIFFRACTION17chain J and resseq 41:65
18X-RAY DIFFRACTION18chain K
19X-RAY DIFFRACTION19chain L

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