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- PDB-6uu9: E. coli mutant sigma-S transcription initiation complex with an 8... -

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Basic information

Entry
Database: PDB / ID: 6uu9
TitleE. coli mutant sigma-S transcription initiation complex with an 8-nt RNA ("Fresh" mutant crystal soaked with GTP, UTP, CTP, and ddATP for 30 minutes)
Components
  • (DNA-directed RNA polymerase subunit ...) x 4
  • (Synthetic DNA 50-mer (promoter ...) x 2
  • RNA 8-mer
  • 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


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 ...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 / DNA-templated transcription initiation / transcription antitermination / 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 / 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 / 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 / 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 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
2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE / DIPHOSPHATE / DNA / DNA (> 10) / RNA / DNA-directed RNA polymerase subunit alpha / RNA polymerase sigma factor RpoS / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta' / DNA-directed RNA polymerase subunit beta
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 5.4 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 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 1.2Mar 16, 2022Group: Author supporting evidence / Database references / Category: database_2 / pdbx_audit_support
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_audit_support.funding_organization
Revision 1.3Oct 11, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Oct 23, 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 8-mer
hetero molecules


Theoretical massNumber of molelcules
Total (without water)443,05115
Polymers442,3829
Non-polymers6696
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)132.184, 153.474, 230.825
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: 38705.496 Da / Num. of mol.: 1 / Mutation: I219G, S221A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoS, NCTC9075_01674 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A377K1M2
#8: RNA chain RNA 8-mer


Mass: 2694.545 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 6 molecules

#9: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#10: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#11: Chemical ChemComp-2DA / 2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE


Type: DNA linking / Mass: 315.222 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H14N5O5P
#12: Chemical ChemComp-DPO / DIPHOSPHATE


Mass: 173.943 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: O7P2

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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: 2.65 Å3/Da / Density % sol: 53.52 %
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: 0.9791 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Oct 12, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9791 Å / Relative weight: 1
ReflectionResolution: 5.395→49 Å / Num. obs: 16580 / % possible obs: 99 % / Redundancy: 5.9 % / CC1/2: 0.995 / Net I/σ(I): 6.93
Reflection shellResolution: 5.4→5.72 Å / Redundancy: 5.8 % / Mean I/σ(I) obs: 0.47 / Num. unique obs: 2511 / CC1/2: 0.157 / % possible all: 95.4

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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: 5.4→48.988 Å / Cor.coef. Fo:Fc: 0.858 / Cor.coef. Fo:Fc free: 0.834 / SU B: 1079.238 / SU ML: 4.413 / Cross valid method: FREE R-VALUE / ESU R Free: 2.712
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflectionSelection details
Rfree0.3622 771 4.679 %0
Rwork0.3142 ---
all0.317 ---
obs-16477 98.323 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 279.166 Å2
Baniso -1Baniso -2Baniso -3
1--0.093 Å20 Å20 Å2
2--0.844 Å20 Å2
3----0.751 Å2
Refinement stepCycle: LAST / Resolution: 5.4→48.988 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27525 1407 33 0 28965
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01329530
X-RAY DIFFRACTIONr_bond_other_d0.0020.01727598
X-RAY DIFFRACTIONr_angle_refined_deg1.3831.62240177
X-RAY DIFFRACTIONr_angle_other_deg0.7151.61963965
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.54653503
X-RAY DIFFRACTIONr_dihedral_angle_2_deg28.50621.7151580
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.424155160
X-RAY DIFFRACTIONr_dihedral_angle_4_deg16.44415263
X-RAY DIFFRACTIONr_chiral_restr0.0610.23874
X-RAY DIFFRACTIONr_gen_planes_refined0.0480.0232140
X-RAY DIFFRACTIONr_gen_planes_other0.0430.026060
X-RAY DIFFRACTIONr_nbd_refined0.2220.36709
X-RAY DIFFRACTIONr_symmetry_nbd_other0.2320.328961
X-RAY DIFFRACTIONr_nbtor_refined0.1550.52959
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2620.5962
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_other0.2190.551
X-RAY DIFFRACTIONr_metal_ion_refined0.1130.53
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.3250.342
X-RAY DIFFRACTIONr_nbd_other0.3460.399
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.3470.57
X-RAY DIFFRACTIONr_xyhbond_nbd_other0.2250.51
X-RAY DIFFRACTIONr_mcbond_it5.50519.32414033
X-RAY DIFFRACTIONr_mcbond_other5.50519.32414032
X-RAY DIFFRACTIONr_mcangle_it10.05432.59317529
X-RAY DIFFRACTIONr_mcangle_other10.05332.59417530
X-RAY DIFFRACTIONr_scbond_it3.66519.53315497
X-RAY DIFFRACTIONr_scbond_other3.63919.52415490
X-RAY DIFFRACTIONr_scangle_it7.07332.88422648
X-RAY DIFFRACTIONr_scangle_other7.02232.86922636
X-RAY DIFFRACTIONr_lrange_it27.793267.895107027
X-RAY DIFFRACTIONr_lrange_other27.786267.876107021
X-RAY DIFFRACTIONr_ncsr_local_group_10.1310.056329
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
5.4-5.5340.439460.3731046X-RAY DIFFRACTION89.6552
5.534-5.6840.428540.4041109X-RAY DIFFRACTION99.9141
5.684-5.8460.438410.4021074X-RAY DIFFRACTION99.8209
5.846-6.0230.426600.3991066X-RAY DIFFRACTION100
6.023-6.2180.455540.3891021X-RAY DIFFRACTION99.9071
6.218-6.4330.378370.4111007X-RAY DIFFRACTION100
6.433-6.6710.397400.402973X-RAY DIFFRACTION99.9014
6.671-6.9390.418520.4932X-RAY DIFFRACTION100
6.939-7.2410.353500.363868X-RAY DIFFRACTION99.1361
7.241-7.5860.474470.332844X-RAY DIFFRACTION99.3311
7.586-7.9860.369340.31822X-RAY DIFFRACTION99.8833
7.986-8.4570.32430.242776X-RAY DIFFRACTION99.514
8.457-9.0230.286500.198724X-RAY DIFFRACTION99.1037
9.023-9.7190.237290.184678X-RAY DIFFRACTION99.1585
9.719-10.6070.276290.187642X-RAY DIFFRACTION99.2604
10.607-11.7930.219210.203590X-RAY DIFFRACTION98.8673
11.793-13.4930.304250.225513X-RAY DIFFRACTION97.8182
13.493-16.2320.359290.315433X-RAY DIFFRACTION96.0499
16.232-21.8340.524190.445364X-RAY DIFFRACTION95.99
21.834-48.9880.469110.536224X-RAY DIFFRACTION89.0152
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)
14.5784-0.1731-0.10760.4689-0.14242.77440.0021-0.99270.2080.08770.02990.0463-0.23640.2353-0.03210.98850.09820.020.2536-0.17172.003241.068-4.8534.505
23.76240.0139-0.59766.34781.62251.99450.09870.6354-0.0351-0.31330.04780.2771-0.0534-0.9466-0.14641.48310.0216-0.09880.62530.32281.890117.34-1.948-40.324
35.09540.07530.62034.62851.79193.34540.34760.18310.34470.1463-0.43040.08250.2485-0.38160.08291.8009-0.17850.15170.16390.36421.765354.0021.361-58.064
45.08775.3687-3.65926.2558-2.69437.0875-0.5570.44030.5491-0.72590.5866-0.0299-0.2918-0.5169-0.02961.56950.50730.20980.3289-0.23152.106671.592-30.384-29.408
517.3091-6.00453.60169.0874-1.55141.04030.14950.76770.9721-0.80730.1852-1.0575-0.0823-0.1606-0.33472.27380.35330.34350.57330.12852.74249.8831.981-19.173
613.8356-2.28710.37528.0809-1.10920.18990.26691.2547-0.14850.3812-0.26460.53910.0853-0.0954-0.00232.0115-0.17920.01810.6957-0.54542.665733.79131.00910.201
79.9331-0.17015.933110.89996.073713.0850.2224-0.3833-0.67980.63510.5933-0.28991.12841.1259-0.81580.9622-0.06460.06581.52570.22241.8714-29.165-2.843.083
84.00640.58262.66980.16790.00444.42350.33620.5645-0.2684-0.0372-0.1327-0.11290.35160.8317-0.20352.0869-0.00020.25211.24-0.47714.14186.1662.065-52.501
92.46431.0273-0.06211.72430.992210.1147-0.9536-1.8521.37280.3105-0.54560.40331.6279-0.54661.49922.5218-0.10940.40293.22-0.23573.058376.55421.662-30.189
100.51590.31160.0020.555-0.27060.20240.27460.58820.15071.1332-0.08510.3691-0.70510.3551-0.18953.1759-0.19110.35292.68660.59753.954234.24948.101-44.291
118.47261.8586-4.58463.23411.53285.02080.1242-1.0320.5661-0.3855-0.044-0.1859-0.48391.0904-0.08011.55480.2194-0.21650.85310.21112.217878.5553.05-16.312
1212.6624.9356-6.67817.9073-5.30368.39730.18340.2379-1.7750.4264-0.307-0.48590.02430.15410.12371.52250.03640.10480.411-0.04872.045673.758-62.668-30.229
131.6452-1.11040.66983.125-1.77133.29780.1538-1.44040.70570.631-0.7197-1.29881.48880.20410.56593.1154-0.6706-0.31352.53270.30652.76872.55726.62314.143
148.0094.92860.0464.1258-1.9498.6060.03840.21580.50740.09150.6719-0.44440.0021-0.7079-0.71031.35670.60550.18690.5222-0.37632.4712-0.41917.876.692
1537.2864-8.38148.92253.3064-3.8916.9209-1.89883.2505-1.82021.2986-0.5924-0.4039-0.46971.81082.49123.38180.3222-0.22011.54040.08233.192929.052-48.642-53.236
1614.246-4.50290.7162.68371.29334.116-0.27720.8834-3.0991-1.13870.10950.5297-0.36450.46160.16761.8483-0.2910.76650.4432-0.29543.004323.347-29.082-3.212
174.83420.472-4.36231.65071.58656.59930.15951.61910.04130.59060.3979-0.44360.5708-1.3468-0.55730.93740.2290.17530.86390.15262.1499-4.04-7.137-12.039
1819.1865-2.88650.66040.94490.00595.98650.0477-0.36531.62590.769-0.6096-0.59060.2501-0.24770.56192.7479-0.3085-0.09711.48880.05392.412628.491-53.033-29.378
1911.48381.97811.16232.53457.13924.8379-1.28690.48243.0801-0.26110.8453-0.0380.48761.68440.44162.2133-0.23330.52280.84650.01393.449843.622.657-24.149
2029.4226-5.0568-1.5919.9545-1.924916.959-0.5350.9490.97030.0270.1912-0.4492-0.4832-1.8720.34373.2245-0.50641.16521.9687-0.24343.807279.8231.026-52.367
213.684-2.573-11.19414.98588.766634.3247-0.7052-0.5719-0.72760.0022-0.8243-1.93391.80421.28891.52952.08050.3011-0.18212.49410.47312.989447.163-19.155-40.681
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 DIFFRACTION1ALL333101
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 - 54
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
46X-RAY DIFFRACTION16ALLDDD637 - 766
47X-RAY DIFFRACTION17ALLDDD501 - 636
48X-RAY DIFFRACTION18ALLDDD944 - 1128
49X-RAY DIFFRACTION19ALLFFF227 - 231
50X-RAY DIFFRACTION19ALL2229 - 21
51X-RAY DIFFRACTION19ALL33314 - 21
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