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- PDB-3s1m: RNA Polymerase II Initiation Complex with a 5-nt RNA (variant 1) -

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Basic information

Entry
Database: PDB / ID: 3s1m
TitleRNA Polymerase II Initiation Complex with a 5-nt RNA (variant 1)
Components
  • (DNA-directed RNA polymerase II subunit ...Polymerase) x 5
  • (DNA-directed RNA polymerases I, II, and III subunit ...RNA polymerase) x 5
  • DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*GP*TP*CP*TP*CP*GP*AP*TP*G)-3')
  • RNA (5'-R(*AP*GP*AP*CP*G)-3')
KeywordsTRANSCRIPTION/RNA/DNA / RNA polymerase II / initiation complex / TRANSCRIPTION-RNA-DNA complex
Function / homology
Function and homology information


RNA Polymerase I Transcription Initiation / RNA Polymerase III Transcription Initiation From Type 1 Promoter / RNA Polymerase III Transcription Initiation From Type 2 Promoter / maintenance of transcriptional fidelity during DNA-templated transcription elongation from RNA polymerase II promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / RNA polymerase II transcribes snRNA genes / RNA Polymerase II Transcription Initiation And Promoter Clearance / RNA Polymerase II Promoter Escape ...RNA Polymerase I Transcription Initiation / RNA Polymerase III Transcription Initiation From Type 1 Promoter / RNA Polymerase III Transcription Initiation From Type 2 Promoter / maintenance of transcriptional fidelity during DNA-templated transcription elongation from RNA polymerase II promoter / RNA Pol II CTD phosphorylation and interaction with CE / Formation of the Early Elongation Complex / mRNA Capping / RNA polymerase II transcribes snRNA genes / RNA Polymerase II Transcription Initiation And Promoter Clearance / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening / RNA Polymerase II Transcription Initiation / TP53 Regulates Transcription of DNA Repair Genes / RNA polymerase II activity / RNA polymerase I activity / RNA Polymerase II Transcription Elongation / Gap-filling DNA repair synthesis and ligation in TC-NER / Formation of TC-NER Pre-Incision Complex / tRNA transcription by RNA polymerase III / RNA Polymerase I Promoter Escape / Estrogen-dependent gene expression / RNA Polymerase II Pre-transcription Events / termination of RNA polymerase II transcription / Dual incision in TC-NER / transcription by RNA polymerase I / transcription by RNA polymerase III / mRNA cleavage / RNA polymerase I complex / RNA polymerase III complex / RNA polymerase II, core complex / translesion synthesis / transcription-coupled nucleotide-excision repair / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / transcription by RNA polymerase II / transcription, RNA-templated / cytoplasmic stress granule / transcription initiation from RNA polymerase II promoter / ribosome biogenesis / nucleic acid binding / protein dimerization activity / mRNA binding / nucleolus / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / metal ion binding / nucleus / cytoplasm
Similarity search - Function
Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; Chain: A, domain 2 / RNA polymerase, Rpb5, N-terminal domain / Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / RNA polymerase Rpb2, domain 2 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 ...Hypothetical Protein Ta0175; Chain: A, domain 2 - #20 / DCoH-like / RNA polymerase alpha subunit dimerisation domain / Hypothetical Protein Ta0175; Chain: A, domain 2 / RNA polymerase, Rpb5, N-terminal domain / Dna-directed Rna Polymerases I, Ii, And Iii 27 Kd Polypeptide; Chain: A; domain 1 / RNA polymerase ii, chain L / RPB5-like RNA polymerase subunit / RNA polymerase Rpb2, domain 2 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; domain 3 / DNA-directed RNA polymerase, subunit 2, domain 6 / Dna-directed Rna Polymerase Ii 140kd Polypeptide; Chain: B; 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 / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 6 / RNA polymerase II, heptapeptide repeat, eukaryotic / RNA polymerase Rpb1, domain 7 superfamily / RNA polymerase Rpb1, domain 7 / RNA polymerase Rpb1, domain 6 / RNA polymerase Rpb1 C-terminal repeat / Eukaryotic RNA polymerase II heptapeptide repeat. / DNA-directed RNA polymerase, insert domain / RNA polymerase, RBP11-like subunit / RNA polymerase RBP11 / Pol II subunit B9, C-terminal zinc ribbon / RNA Polymerase Alpha Subunit; Chain A, domain 2 / N-terminal domain of TfIIb / Rubrerythrin, domain 2 / RNA polymerase Rpb2, domain 4 / RNA polymerase Rpb2, domain 4 / Zinc finger TFIIS-type signature. / RNA polymerase Rpb2, domain 5 / RNA polymerase Rpb2, domain 5 / RNA polymerase subunit RPB10 / RNA polymerases N / 8 Kd subunits signature. / RNA polymerases, subunit N, zinc binding site / RNA polymerases N / 8 kDa subunit / DNA-directed RNA polymerase subunit RPABC5/Rpb10 / DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerases M / 15 Kd subunits signature. / DNA-directed RNA polymerase M, 15kDa subunit, conserved site / RNA polymerase Rpb5, N-terminal domain / RNA polymerase Rpb5, N-terminal domain superfamily / DNA-directed RNA polymerase subunit/transcription factor S / DNA-directed RNA polymerase subunit Rpo5/Rpb5 / RNA polymerase, Rpb5, N-terminal / RNA polymerase Rpb8 / RNA polymerase, Rpb8 / RNA polymerase subunit 8 / DNA-directed RNA polymerase, M/15kDa subunit / RNA polymerases M/15 Kd subunit / RNA polymerase subunit 9 / DNA-directed RNA polymerase, subunit RPB6 / DNA directed RNA polymerase, 7 kDa subunit / RNA polymerase archaeal subunit P/eukaryotic subunit RPABC4 / RNA polymerase subunit CX / DNA-directed RNA polymerase, 30-40kDa subunit, conserved site / RNA polymerases D / 30 to 40 Kd subunits signature. / DNA-directed RNA polymerase, RBP11-like dimerisation domain / DNA-directed RNA polymerase Rpb11, 13-16kDa subunit, conserved site / RNA polymerase, subunit H/Rpb5, conserved site / RPB5-like RNA polymerase subunit superfamily / RNA polymerases L / 13 to 16 Kd subunits signature. / : / RNA polymerase Rpb5, C-terminal domain / RNA polymerase, subunit H/Rpb5 C-terminal / RNA polymerases H / 23 Kd subunits signature. / : / RNA polymerase Rpb3/Rpb11 dimerisation domain / Archaeal Rpo6/eukaryotic RPB6 RNA polymerase subunit / DNA-directed RNA polymerase, 14-18kDa subunit, conserved site / RNA polymerases K / 14 to 18 Kd subunits signature. / RNA polymerase subunit RPABC4/transcription elongation factor Spt4 / Transcription factor S-II (TFIIS) / Zinc finger TFIIS-type profile. / C2C2 Zinc finger / Zinc finger, TFIIS-type / Gyrase A; domain 2 / Homeodomain-like / RNA polymerase Rpb1, domain 3 superfamily / RNA polymerase Rpb6 / : / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RPB6/omega subunit-like superfamily / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 1 / RNA polymerase, N-terminal / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, funnel domain superfamily
Similarity search - Domain/homology
RNA / DNA (> 10) / DNA / 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 ...RNA / DNA (> 10) / DNA / 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 (baker's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.13 Å
AuthorsLiu, X. / Bushnell, D.A. / Silva, D.A. / Huang, X. / Kornberg, R.D.
CitationJournal: Science / Year: 2011
Title: Initiation complex structure and promoter proofreading.
Authors: Liu, X. / Bushnell, D.A. / Silva, D.A. / Huang, X. / Kornberg, R.D.
History
DepositionMay 15, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 10, 2011Provider: repository / Type: Initial release
Revision 1.1Nov 8, 2017Group: Refinement description / Category: software
Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA-directed RNA polymerase II subunit RPB1
B: DNA-directed RNA polymerase II subunit RPB2
C: DNA-directed RNA polymerase II subunit RPB3
E: DNA-directed RNA polymerases I, II, and III subunit RPABC1
F: DNA-directed RNA polymerases I, II, and III subunit RPABC2
H: DNA-directed RNA polymerases I, II, and III subunit RPABC3
I: DNA-directed RNA polymerase II subunit RPB9
J: DNA-directed RNA polymerases I, II, and III subunit RPABC5
K: DNA-directed RNA polymerase II subunit RPB11
L: DNA-directed RNA polymerases I, II, and III subunit RPABC4
R: RNA (5'-R(*AP*GP*AP*CP*G)-3')
T: DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*GP*TP*CP*TP*CP*GP*AP*TP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)480,68621
Polymers480,13912
Non-polymers5489
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area59190 Å2
ΔGint-294 kcal/mol
Surface area140560 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)156.920, 220.711, 191.769
Angle α, β, γ (deg.)90.000, 97.480, 90.000
Int Tables number5
Space group name H-MC121

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Components

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

#1: Protein DNA-directed RNA polymerase II subunit RPB1 / Polymerase / RNA polymerase II subunit 1 / RNA polymerase II subunit B1 / DNA-directed RNA polymerase III ...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 (baker's yeast) / Strain: CB010 / 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 (baker's yeast) / Strain: CB010 / References: UniProt: P08518, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase II subunit RPB3 / Polymerase / RNA polymerase II subunit 3 / RNA polymerase II subunit B3 / B44.5 / DNA-directed RNA polymerase II ...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 (baker's yeast) / Strain: CB010 / References: UniProt: P16370
#7: Protein DNA-directed RNA polymerase II subunit RPB9 / Polymerase / RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA- ...RNA polymerase II subunit B9 / B12.6 / DNA-directed RNA polymerase II 14.2 kDa polypeptide / DNA-directed RNA polymerase II subunit 9


Mass: 14308.161 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (baker's yeast) / Strain: CB010 / References: UniProt: P27999
#9: Protein DNA-directed RNA polymerase II subunit RPB11 / Polymerase / RNA polymerase II subunit B11 / B13.6 / DNA-directed RNA polymerase II 13.6 kDa polypeptide


Mass: 13633.493 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (baker's yeast) / Strain: CB010 / References: UniProt: P38902

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

#4: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC1 / RNA polymerase / RNA polymerases I / II / and III subunit ABC1 / ABC27 / DNA-directed RNA polymerases I / II / and ...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 (baker's yeast) / Strain: CB010 / References: UniProt: P20434
#5: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC2 / RNA polymerase / RNA polymerases I / II / and III subunit ABC2 / ABC23 / DNA-directed RNA polymerases I / II / and ...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 (baker's yeast) / Strain: CB010 / References: UniProt: P20435
#6: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC3 / RNA polymerase / RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC3 / ABC14.4 / ABC14.5 / DNA-directed RNA polymerases I / 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 (baker's yeast) / Strain: CB010 / References: UniProt: P20436
#8: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC5 / RNA polymerase / RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I ...RNA polymerases I / II / and III subunit ABC5 / ABC10-beta / ABC8 / DNA-directed RNA polymerases I / 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 (baker's yeast) / Strain: CB010 / References: UniProt: P22139
#10: Protein DNA-directed RNA polymerases I, II, and III subunit RPABC4 / RNA polymerase / RNA polymerases I / II / and III subunit ABC4 / ABC10-alpha


Mass: 7729.969 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (baker's yeast) / Strain: CB010 / References: UniProt: P40422

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RNA chain / DNA chain , 2 types, 2 molecules RT

#11: RNA chain RNA (5'-R(*AP*GP*AP*CP*G)-3')


Mass: 1609.048 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: RNA (5-nt) variant 1
#12: DNA chain DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*GP*TP*CP*TP*CP*GP*AP*TP*G)-3')


Mass: 8903.748 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Template DNA

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Non-polymers , 2 types, 9 molecules

#13: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / 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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Details

Compound detailsAN ADDITIONAL DNA CHAIN (14-NT) IN THE CRYSTAL BUT THE WHOLE CHAIN IS DISORDERED AND THUS NOT ...AN ADDITIONAL DNA CHAIN (14-NT) IN THE CRYSTAL BUT THE WHOLE CHAIN IS DISORDERED AND THUS NOT PRESENT IN THE MODEL: GATGGCTATTCGTC

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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: 3.43 Å3/Da / Density % sol: 64.13 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6
Details: 390mM (NH4)2HPO4/NaH2PO4, pH 6.0, 50mM dioxane, 9-11% PEG 6.000, 15mM DTT, vapor diffusion, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.979 Å
DetectorType: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Feb 26, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 3.13→50 Å / Num. obs: 113147 / % possible obs: 99.1 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.105 / Χ2: 1.045 / Net I/σ(I): 6.2
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.13-3.243.10.506107740.974194.3
3.24-3.373.40.443111640.974198.3
3.37-3.533.50.349112560.99199.2
3.53-3.713.70.269113491.018199.6
3.71-3.943.80.204113751.001199.8
3.94-4.253.90.144114291.0261100
4.25-4.673.90.106113981.0741100
4.67-5.353.90.096113901.0261100
5.35-6.743.90.094114561.0341100
6.74-503.90.041115561.2861100

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Processing

Software
NameVersionClassificationNB
BUSTER-TNTBUSTER 2.8.0refinement
DENZOdata reduction
SCALEPACKdata scaling
PDB_EXTRACT3.1data extraction
BUSTER2.8.0refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2NVQ
Resolution: 3.13→47.72 Å / Cor.coef. Fo:Fc: 0.9213 / Cor.coef. Fo:Fc free: 0.8882 / Occupancy max: 1 / Occupancy min: 1 / Cross valid method: THROUGHOUT / σ(F): 0
RfactorNum. reflection% reflectionSelection details
Rfree0.2326 5668 5.01 %RANDOM
Rwork0.1832 ---
obs0.1856 113127 --
Displacement parametersBiso max: 300 Å2 / Biso mean: 118.6266 Å2 / Biso min: 36.56 Å2
Baniso -1Baniso -2Baniso -3
1--33.3463 Å20 Å220.4595 Å2
2--7.862 Å20 Å2
3---25.4844 Å2
Refine analyzeLuzzati coordinate error obs: 0.761 Å
Refinement stepCycle: LAST / Resolution: 3.13→47.72 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28292 269 9 0 28570
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d10524SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes767HARMONIC2
X-RAY DIFFRACTIONt_gen_planes4130HARMONIC5
X-RAY DIFFRACTIONt_it29113HARMONIC20
X-RAY DIFFRACTIONt_nbd1SEMIHARMONIC5
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion3840SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance32HARMONIC1
X-RAY DIFFRACTIONt_utility_angle45HARMONIC1
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact34024SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d29113HARMONIC20.009
X-RAY DIFFRACTIONt_angle_deg39367HARMONIC21.24
X-RAY DIFFRACTIONt_omega_torsion2.59
X-RAY DIFFRACTIONt_other_torsion22.7
LS refinement shellResolution: 3.13→3.2 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2995 405 5.5 %
Rwork0.2486 6954 -
all0.2515 7359 -
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)
10.26420.4849-0.41191.20860.4856-0.1070.01320.22490.1006-0.0336-0.0284-0.203-0.10810.26250.0152-0.0099-0.1117-0.11510.20380.1383-0.325749.7599-33.500635.423
20.7805-0.44090.5360.8847-0.60291.62760.011-0.1030.0821-0.00780.1031-0.16530.33850.5354-0.114-0.05350.142-0.1212-0.1212-0.0656-0.324131.2817-64.158867.643
30.3251-0.05440.12140.62290.3131.52470.07020.0153-0.0135-0.0817-0.03630.0573-0.138-0.188-0.03390.013-0.0598-0.0401-0.3040.063-0.3028-7.106-35.535744.3068
40.73170.94110.87242.58920.74562.9048-0.13040.19170.04160.31950.2471-0.44180.01340.366-0.11670.2138-0.1309-0.0682-0.304-0.1705-0.314330.8637-9.141690.0328
50.0181-0.01590.00440.0096-0.00480.0087-0.00010.0001-0.0004-0.00090.00070.00160.0008-0.0009-0.00050.01220.0114-0.01060.0131-0.00410.002116.6707-22.728339.0652
60.0234-0.0001-0.01160.014-0.0220.0081-0.0005-0.00160.00130.0005-0.0004-0.00030.000200.00090.0058-0.00530.00170.0077-0.00350.006712.4302-24.562640.1035
70.02740.01010.00540.0176-0.00890.020-0.0010.00050.0013-0.00030.0011-0.0008-0.00170.00030.008-0.00020.00760.0041-0.02280.0179.1243-28.078640.9391
8-0.007-0.04120.025500.0020.01670-0.0005-0.0026-0.0006-0.0003-0.0028-0.001-0.00020.00030.012-0.0028-0.0130.00350.0069-0.01097.2661-32.663842.4383
90.0059-0.002-0.02330.0339-0.06850.020900.001500.00120.00120.0008-0.0006-0.0022-0.00120.00660.01070.01050.00320.02540.00818.1855-37.38744.6662
100.0137-0.00880.01650.049-0.00560.0226-0.00040.00120.0009-0.00050.0009-0.0019-0.00090.0012-0.00050.015-0.0120.00880.00940.00580.013936.2755-29.828553.0498
110.01780.00510.02830-0.00880.0123-0.0002-0.00120.00150.00380.00010.00240.00050.00040.00010.00670.0005-0.00730.00620.00680.004331.4784-32.7852.7161
120.0037-0.0077-0.01560.0049-0.00910.02210-0.0005-0.00030.0004-0.00120.00040.0003-0.00070.00120.00890.00080.0023-0.0086-0.00010.000726.8066-31.983850.7469
130.0061-0.00920.00820.0213-0.00810.04620.0002-0.00030.00080.00080.0006-0.0017-0.00250.0006-0.00080.0139-0.00750.00190.00590.00370.008819.2634-36.374748.2722
14-0.0005-0.0252-0.000100.00290.03180.00020-0.00250.00080.00060.00030.0001-0.0005-0.00080.01380.01210.0064-0.0008-0.0012-0.021217.9935-38.022943.8256
150.00250.02540.01680.0192-0.01180.0225-0.0007-0.00080.0019-0.00010.00080.0009-0.0008-0.001-0.00010.0151-0.0111-0.009500.0020.00515.7498-37.231739.5597
160.0091-0.00970.01390.00360.00140.01250.00050.00020.0012-0.00020.00010.002-0.00030.0003-0.00060.0084-0.0042-0.00920.0144-0.02-0.00114.7505-34.891635.5988
170.0340.00320.00230.0153-0.010.0087-0.00010.002-0.002-0.00050.00020.0010.0014-0.0011-0.00010.012-0.0027-0.00920.0089-0.01390.012712.6052-30.057132.3006
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|3 - A|346 A|1395 - A|1445 B|1151 - B|1224 }A3 - 346
2X-RAY DIFFRACTION1{ A|3 - A|346 A|1395 - A|1445 B|1151 - B|1224 }A1395 - 1445
3X-RAY DIFFRACTION1{ A|3 - A|346 A|1395 - A|1445 B|1151 - B|1224 }B1151 - 1224
4X-RAY DIFFRACTION2{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 F|72 - F|155 }A809 - 1141
5X-RAY DIFFRACTION2{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 F|72 - F|155 }A1275 - 1394
6X-RAY DIFFRACTION2{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 F|72 - F|155 }E2 - 215
7X-RAY DIFFRACTION2{ A|809 - A|1141 A|1275 - A|1394 E|2 - E|215 F|72 - F|155 }F72 - 155
8X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }A347 - 808
9X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }B20 - 217
10X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }C3 - 268
11X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }B406 - 1150
12X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }J1 - 101
13X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }K1 - 114
14X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }L25 - 105
15X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }H2 - 146
16X-RAY DIFFRACTION3{ A|347 - A|808 B|20 - B|217 C|3 - C|268 B|406 - B|1150 J|1 - J|101 K|1 - K|114 L|25 - L|105 H|2 - H|146 I|40 - I|120 }I40 - 120
17X-RAY DIFFRACTION4{ A|1142 - A|1272 B|218 - B|405 I|2 - I|39 }A1142 - 1272
18X-RAY DIFFRACTION4{ A|1142 - A|1272 B|218 - B|405 I|2 - I|39 }B218 - 405
19X-RAY DIFFRACTION4{ A|1142 - A|1272 B|218 - B|405 I|2 - I|39 }I2 - 39
20X-RAY DIFFRACTION5{ R|6 }R6
21X-RAY DIFFRACTION6{ R|7 }R7
22X-RAY DIFFRACTION7{ R|8 }R8
23X-RAY DIFFRACTION8{ R|9 }R9
24X-RAY DIFFRACTION9{ R|10 }R10
25X-RAY DIFFRACTION10{ T|16 }T16
26X-RAY DIFFRACTION11{ T|17 }T17
27X-RAY DIFFRACTION12{ T|18 }T18
28X-RAY DIFFRACTION13{ T|19 }T19
29X-RAY DIFFRACTION14{ T|20 }T20
30X-RAY DIFFRACTION15{ T|21 }T21
31X-RAY DIFFRACTION16{ T|22 }T22
32X-RAY DIFFRACTION17{ T|23 }T23

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