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- PDB-6uu0: E. coli sigma-S transcription initiation complex with a 3-nt RNA ... -

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Basic information

Entry
Database: PDB / ID: 6uu0
TitleE. coli sigma-S transcription initiation complex with a 3-nt RNA and a mismatching GTP ("Fresh" crystal soaked with GTP for 1 hour)
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • (Synthetic DNA 50-MER (promoter ...) x 2
  • RNA 3-mer (de novo synthesized)
  • RNA polymerase sigma factor RpoS
KeywordsTRANSCRIPTION / TRANSFERASE/DNA/RNA / Transcription initiation / RNA polymerase / DNA promoter / transcription bubble / de novo RNA synthesis / DNA scrunching / sigma-S factor / TRANSFERASE-DNA-RNA complex
Function / homology
Function and homology information


sigma factor antagonist complex / response to stress / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly ...sigma factor antagonist complex / response to stress / RNA polymerase complex / submerged biofilm formation / cellular response to cell envelope stress / bacterial-type RNA polymerase core enzyme binding / cytosolic DNA-directed RNA polymerase complex / regulation of DNA-templated transcription initiation / sigma factor activity / bacterial-type flagellum assembly / bacterial-type flagellum-dependent cell motility / nitrate assimilation / DNA-directed RNA polymerase complex / transcription elongation factor complex / regulation of DNA-templated transcription elongation / transcription antitermination / DNA-templated transcription initiation / cell motility / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / response to heat / protein-containing complex assembly / intracellular iron ion homeostasis / protein dimerization activity / response to antibiotic / negative regulation of DNA-templated transcription / DNA-templated transcription / magnesium ion binding / DNA binding / zinc ion binding / membrane / cytosol / cytoplasm
Similarity search - Function
RNA polymerase sigma factor RpoS / Sigma-70 factors family signature 1. / : / RNA polymerase sigma-70 region 1.2 / Sigma-70 factor, region 1.2 / RNA polymerase sigma-70 region 3 / Sigma-70 region 3 / Sigma-70 factors family signature 2. / RNA polymerase sigma-70 / RNA polymerase sigma-70 region 4 ...RNA polymerase sigma factor RpoS / Sigma-70 factors family signature 1. / : / RNA polymerase sigma-70 region 1.2 / Sigma-70 factor, region 1.2 / RNA polymerase sigma-70 region 3 / Sigma-70 region 3 / Sigma-70 factors family signature 2. / RNA polymerase sigma-70 / RNA polymerase sigma-70 region 4 / Sigma-70, region 4 / RNA polymerase sigma-70 region 2 / RNA polymerase sigma-70 like domain / Sigma-70 region 2 / RNA polymerase sigma factor, region 2 / RNA polymerase sigma factor, region 3/4-like / DNA-directed RNA polymerase, omega subunit / DNA-directed RNA polymerase, subunit beta-prime, bacterial type / DNA-directed RNA polymerase, beta subunit, external 1 domain superfamily / DNA-directed RNA polymerase, beta subunit, external 1 domain / RNA polymerase beta subunit external 1 domain / DNA-directed RNA polymerase, alpha subunit / DNA-directed RNA polymerase beta subunit, bacterial-type / RNA polymerase Rpb6 / RNA polymerase, subunit omega/Rpo6/RPB6 / RNA polymerase Rpb6 / RNA polymerase Rpb1, domain 3 superfamily / RPB6/omega subunit-like superfamily / RNA polymerase Rpb1, clamp domain superfamily / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 3 / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 1 / RNA polymerase, alpha subunit / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb1, domain 5 / 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 / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb3/Rpb11 dimerisation domain / RNA polymerases D / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase, RBP11-like subunit / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 2 / RNA polymerase, beta subunit, conserved site / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerase Rpb2, OB-fold / RNA polymerase Rpb2, domain 7 / RNA polymerase Rpb2, domain 3 / RNA polymerases beta chain signature. / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / DNA-directed RNA polymerase, subunit 2 / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily / RNA polymerase Rpb2, domain 6 / Winged helix-like DNA-binding domain superfamily
Similarity search - Domain/homology
GUANOSINE-5'-TRIPHOSPHATE / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase subunit alpha / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit beta / RNA polymerase sigma factor RpoS
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.9 Å
AuthorsZuo, Y. / De, S. / Steitz, T.A.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM22778 United States
Howard Hughes Medical Institute (HHMI) United States
CitationJournal: Iscience / Year: 2020
Title: Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Authors: Zuo, Y. / De, S. / Feng, Y. / Steitz, T.A.
History
DepositionOct 30, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 26, 2020Provider: repository / Type: Initial release
Revision 1.1Sep 2, 2020Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Oct 16, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
AAA: DNA-directed RNA polymerase subunit alpha
BBB: DNA-directed RNA polymerase subunit alpha
CCC: DNA-directed RNA polymerase subunit beta
DDD: DNA-directed RNA polymerase subunit beta'
EEE: DNA-directed RNA polymerase subunit omega
FFF: RNA polymerase sigma factor RpoS
111: Synthetic DNA 50-MER (promoter non-template strand)
222: Synthetic DNA 50-MER (promoter template strand)
333: RNA 3-mer (de novo synthesized)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)441,59714
Polymers440,8949
Non-polymers7035
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)132.800, 156.155, 233.371
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 5 molecules AAABBBCCCDDDEEE

#1: Protein DNA-directed RNA polymerase subunit alpha


Mass: 26899.572 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoA_1, NCTC9962_06804 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: A0A377D9Q8, DNA-directed RNA polymerase
#2: Protein DNA-directed RNA polymerase subunit beta / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 150820.875 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoB, Z5560, ECs4910 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0A8V4, DNA-directed RNA polymerase
#3: Protein DNA-directed RNA polymerase subunit beta' / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 155366.781 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoC, tabB, b3988, JW3951 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0A8T7, DNA-directed RNA polymerase
#4: Protein DNA-directed RNA polymerase subunit omega / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 10118.352 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoZ, b3649, JW3624 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0A800, DNA-directed RNA polymerase

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Synthetic DNA 50-MER (promoter ... , 2 types, 2 molecules 111222

#6: DNA chain Synthetic DNA 50-MER (promoter non-template strand)


Mass: 15313.812 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#7: DNA chain Synthetic DNA 50-MER (promoter template strand)


Mass: 15562.970 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Protein / RNA chain , 2 types, 2 molecules FFF333

#5: Protein RNA polymerase sigma factor RpoS / Sigma S / Sigma-38


Mass: 38777.602 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: rpoS, appR, katF, nur, otsX, sigS, b2741, JW5437 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P13445
#8: RNA chain RNA 3-mer (de novo synthesized)


Mass: 1134.619 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 5 molecules

#9: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#10: Chemical ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE


Mass: 523.180 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H16N5O14P3 / Comment: GTP, energy-carrying molecule*YM
#11: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn

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Details

Has ligand of interestN
Has protein modificationY

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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: 2.74 Å3/Da / Density % sol: 55.18 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: PEG3350, sodium chloride, HEPES / Temp details: Room temperature

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Nov 12, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 3.9→49.2 Å / Num. obs: 44697 / % possible obs: 99.4 % / Redundancy: 13.4 % / CC1/2: 0.999 / Net I/σ(I): 11.63
Reflection shellResolution: 3.9→4.13 Å / Redundancy: 12.2 % / Mean I/σ(I) obs: 0.48 / Num. unique obs: 6876 / CC1/2: 0.145 / % possible all: 96.9

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Processing

Software
NameVersionClassification
REFMAC5.8.0257refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5IPL
Resolution: 3.9→49.2 Å / Cor.coef. Fo:Fc: 0.927 / Cor.coef. Fo:Fc free: 0.9 / SU B: 427.542 / SU ML: 2.185 / Cross valid method: FREE R-VALUE / ESU R Free: 1.218
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflectionSelection details
Rfree0.3677 2123 4.808 %0
Rwork0.3138 ---
all0.316 ---
obs-44157 98.238 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 265.714 Å2
Baniso -1Baniso -2Baniso -3
1-1.095 Å20 Å20 Å2
2---0.103 Å20 Å2
3----0.992 Å2
Refinement stepCycle: LAST / Resolution: 3.9→49.2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27488 1453 36 0 28977
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01329551
X-RAY DIFFRACTIONr_bond_other_d0.0020.01727587
X-RAY DIFFRACTIONr_angle_refined_deg1.4061.6240224
X-RAY DIFFRACTIONr_angle_other_deg0.7181.6263946
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.37553498
X-RAY DIFFRACTIONr_dihedral_angle_2_deg28.96921.7581576
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.656155158
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.67815261
X-RAY DIFFRACTIONr_chiral_restr0.0620.23873
X-RAY DIFFRACTIONr_gen_planes_refined0.0480.0232127
X-RAY DIFFRACTIONr_gen_planes_other0.0430.026054
X-RAY DIFFRACTIONr_nbd_refined0.2290.36723
X-RAY DIFFRACTIONr_symmetry_nbd_other0.2380.328982
X-RAY DIFFRACTIONr_nbtor_refined0.1550.52950
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2650.5939
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_other0.2110.550
X-RAY DIFFRACTIONr_metal_ion_refined0.3030.52
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.3970.339
X-RAY DIFFRACTIONr_nbd_other0.3710.366
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.6460.57
X-RAY DIFFRACTIONr_xyhbond_nbd_other0.4280.51
X-RAY DIFFRACTIONr_mcbond_it10.09325.30714013
X-RAY DIFFRACTIONr_mcbond_other10.09225.30814012
X-RAY DIFFRACTIONr_mcangle_it17.13642.68617504
X-RAY DIFFRACTIONr_mcangle_other17.13642.68617505
X-RAY DIFFRACTIONr_scbond_it8.00426.07515538
X-RAY DIFFRACTIONr_scbond_other7.98926.07115528
X-RAY DIFFRACTIONr_scangle_it14.24543.81422720
X-RAY DIFFRACTIONr_scangle_other14.20643.80522701
X-RAY DIFFRACTIONr_lrange_it30.205357.975106641
X-RAY DIFFRACTIONr_lrange_other30.196357.942106618
X-RAY DIFFRACTIONr_ncsr_local_group_10.1350.056286
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRfactor allNum. reflection allFsc freeFsc work% reflection obs (%)WRfactor Rwork
3.9-4.0010.6891540.68228750.68232410.4530.47393.45880.677
4.001-4.110.621470.61130290.61131760.4470.461000.606
4.11-4.2280.5681420.53229180.53430600.4670.4791000.529
4.228-4.3570.4531530.46728720.46630260.4520.42999.9670.463
4.357-4.4990.4621430.41627640.41929070.5110.5331000.415
4.499-4.6550.3821520.38426890.38428440.5940.58899.89450.385
4.655-4.8290.3811230.3725950.37127200.5450.59399.92650.372
4.829-5.0240.4381310.38325060.38526430.5130.5599.7730.383
5.024-5.2450.4641170.38124040.38525240.5570.58499.88110.38
5.245-5.4980.4011100.37223090.37324220.6370.68499.87610.365
5.498-5.7920.3711050.36822090.36923230.7640.72599.61260.356
5.792-6.1380.4211010.33620780.3421880.7920.81999.58870.322
6.138-6.5540.406840.30919930.31320850.8170.83299.61630.289
6.554-7.0690.385950.25418490.2619540.820.87299.48820.226
7.069-7.7280.305940.20416570.20917670.8680.90599.09450.185
7.728-8.6140.289790.18214940.18816450.8960.92295.62310.174
8.614-9.8970.219700.16812860.1714480.9340.95193.64640.167
9.897-12.0010.251450.18811160.1912720.940.94891.27360.201
12.001-16.4930.278480.2148560.21710100.9260.93889.5050.237
16.493-49.4340.406300.385340.3816500.7040.78686.76920.466
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)
15.28940.297-0.16963.0059-0.55432.82880.0202-1.61940.4460.420.0938-0.17310.03710.5978-0.1140.08910.0765-0.05210.6844-0.25380.277341.902-4.9544.322
24.6712-0.0428-0.69625.75451.1914.00130.10741.11440.0181-0.60040.28480.46710.1529-1.0449-0.39220.0986-0.0578-0.02150.57180.29680.52218.593-1.717-40.821
36.648-0.9632-0.5715.57132.02235.08130.28040.84980.6253-0.17880.1486-0.2170.21840.0986-0.42890.5764-0.01980.1660.25240.27180.523855.1841.736-58.298
46.18072.9314-1.61253.6121.79885.8722-0.14510.21160.8748-0.41790.1373-0.0415-0.0624-0.30690.00780.63280.39250.09270.4162-0.03440.815271.744-30.622-29.854
57.4444-2.09282.30171.35160.29684.49160.24220.180.4868-0.62530.02650.2249-0.5450.137-0.26871.2657-0.04280.3770.1019-0.16921.565351.27432.136-19.449
66.789-4.21932.4423.1207-1.44490.9427-0.12450.2362-0.0751-0.20010.17020.2034-0.30650.2194-0.04571.38-0.23440.15820.9437-0.48531.306934.85231.26610.296
75.92482.56845.0623.01253.94979.1002-0.0147-0.8328-0.21360.60530.25620.19250.1769-0.4798-0.24140.60460.04830.20751.49030.12461.1333-28.427-2.8522.279
87.19170.37560.15210.1074-0.07610.24370.36760.56120.00260.0287-0.2439-0.11870.2910.4311-0.12371.07190.03960.26891.1649-0.20991.491487.4691.764-52.93
99.2257-1.45197.09315.62676.745317.1906-0.2667-0.7945-0.1397-0.2255-0.00990.4646-0.5251-0.33980.27660.4667-0.13630.10591.17-0.15121.241677.34921.405-30.467
100.40030.76720.76411.65791.66572.2702-0.11050.17650.66610.0970.03111.098-0.37350.17160.07941.64750.1360.41011.52770.37072.95235.47448.862-43.771
117.9283-0.4382-2.43263.57872.05112.42370.1775-1.16340.6246-0.535-0.0084-0.7222-0.40221.1603-0.16910.4642-0.0429-0.08151.37770.16351.14979.3852.894-16.941
127.76270.5866-2.34033.4469-0.91594.7284-0.0207-0.7493-0.5644-0.0095-0.3225-0.26660.51440.24660.34311.06030.2330.2280.67550.12571.008874.502-63.383-30.314
130.30770.33890.04580.63170.16670.06520.2787-0.5877-0.16060.5612-0.1973-0.46990.14590.1462-0.08141.7348-0.0907-0.12572.08240.22291.524673.58127.07513.797
146.27321.8061.17842.8759-0.9296.48920.0613-0.63190.92530.11080.14340.28530.1039-0.3971-0.20470.72310.39620.21530.6963-0.2551.22190.68818.2225.977
158.34451.67452.95130.84930.79931.14220.14930.2903-0.42240.7316-0.12690.32350.42180.0904-0.02251.50730.00910.1171.2557-0.25991.616329.084-48.432-54.064
164.4044-0.6395-1.00655.4672-1.7341.6044-0.1561-0.5808-2.4068-0.6591-0.2899-0.29971.06550.39570.44611.13030.01770.07160.3977-0.05392.019224.492-29.655-1.988
171.4075-0.27971.12923.6458-0.36369.3334-0.39880.5702-0.33280.00940.1608-0.2042-0.5312-0.23770.2380.1334-0.23420.02350.90490.03620.7869-3.375-6.343-12.17
180.3078-0.31241.08641.0625-0.39334.87650.0026-0.0617-0.02791.1402-0.0098-0.13441.13170.06090.00721.7976-0.11630.11151.65140.04952.61828.515-53.545-29.7
1911.5564-0.0839-11.40230.4406-0.063111.37680.5054-1.44461.3050.28330.2724-0.9098-0.38251.488-0.77781.0170.2195-0.05230.9414-0.20512.574243.2133.548-24.291
205.2151-1.02952.86858.63143.34645.18190.23320.01150.5787-0.5623-0.9442-0.0457-1.08740.37760.71110.8468-0.2410.36251.09390.01131.532982.42128.394-51.482
213.3224-3.0328-4.709311.81557.56768.0324-0.70090.6828-0.3479-0.35260.9124-1.21661.0832-0.3135-0.21151.4208-0.0714-0.19510.90180.10161.081750.809-23.033-45.694
Refinement TLS group
IDRefine-IDRefine TLS-IDSelectionAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1ALLCCC1 - 28
2X-RAY DIFFRACTION1ALLCCC146 - 152
3X-RAY DIFFRACTION1ALLCCC445 - 455
4X-RAY DIFFRACTION1ALLCCC517 - 832
5X-RAY DIFFRACTION1ALLCCC1056 - 1241
6X-RAY DIFFRACTION1ALLDDD767 - 790
7X-RAY DIFFRACTION1ALLDDD1504
8X-RAY DIFFRACTION1ALL333501
9X-RAY DIFFRACTION2ALLCCC1242 - 1321
10X-RAY DIFFRACTION2ALLDDD343 - 500
11X-RAY DIFFRACTION2ALLDDD791 - 943
12X-RAY DIFFRACTION2ALLDDD1129 - 1153
13X-RAY DIFFRACTION2ALLDDD1213 - 1317
14X-RAY DIFFRACTION2ALLDDD1345 - 1407
15X-RAY DIFFRACTION2ALLDDD1502 - 1503
16X-RAY DIFFRACTION2ALLEEE2 - 91
17X-RAY DIFFRACTION3ALLCCC1322 - 1342
18X-RAY DIFFRACTION3ALLDDD1 - 342
19X-RAY DIFFRACTION3ALLDDD1318 - 1344
20X-RAY DIFFRACTION3ALLDDD1501
21X-RAY DIFFRACTION3ALLFFF218 - 226
22X-RAY DIFFRACTION3ALLFFF232 - 241
23X-RAY DIFFRACTION4ALLCCC153 - 226
24X-RAY DIFFRACTION4ALLCCC337 - 444
25X-RAY DIFFRACTION4ALL11145 - 50
26X-RAY DIFFRACTION5ALLCCC833 - 891
27X-RAY DIFFRACTION5ALLCCC912 - 936
28X-RAY DIFFRACTION5ALLCCC1040 - 1055
29X-RAY DIFFRACTION6ALLAAA52 - 178
30X-RAY DIFFRACTION7ALLBBB52 - 178
31X-RAY DIFFRACTION8ALLFFF53 - 166
32X-RAY DIFFRACTION8ALL11137 - 44
33X-RAY DIFFRACTION9ALLFFF167 - 217
34X-RAY DIFFRACTION9ALL22222 - 26
35X-RAY DIFFRACTION10ALLFFF242 - 329
36X-RAY DIFFRACTION10ALLCCC892 - 911
37X-RAY DIFFRACTION11ALLCCC29 - 145
38X-RAY DIFFRACTION11ALLCCC456 - 516
39X-RAY DIFFRACTION12ALLCCC227 - 336
40X-RAY DIFFRACTION13ALLCCC937 - 1039
41X-RAY DIFFRACTION14ALLAAA1 - 51
42X-RAY DIFFRACTION14ALLAAA179 - 235
43X-RAY DIFFRACTION14ALLBBB1 - 51
44X-RAY DIFFRACTION14ALLBBB179 - 235
45X-RAY DIFFRACTION15ALLDDD1154 - 1212
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