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- PDB-4oo1: Structure of an Rrp6-RNA exosome complex bound to poly(A) RNA -

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Basic information

Entry
Database: PDB / ID: 4oo1
TitleStructure of an Rrp6-RNA exosome complex bound to poly(A) RNA
Components
  • (Exosome complex component ...) x 9
  • Exosome complex exonuclease RRP6
  • POLY A RNA
KeywordsHYDROLASE/RNA / RNA EXOSOME COMPLEX / RNA PROCESSING/DECAY / NUCLEUS / RNA BINDING PROTEIN-RNA complex / HYDROLASE-RNA complex
Function / homology
Function and homology information


Butyrate Response Factor 1 (BRF1) binds and destabilizes mRNA / Tristetraprolin (TTP, ZFP36) binds and destabilizes mRNA / nuclear polyadenylation-dependent antisense transcript catabolic process / nuclear polyadenylation-dependent snoRNA catabolic process / nuclear polyadenylation-dependent snRNA catabolic process / mRNA decay by 3' to 5' exoribonuclease / U1 snRNA 3'-end processing / nuclear polyadenylation-dependent CUT catabolic process / nuclear polyadenylation-dependent mRNA catabolic process / U5 snRNA 3'-end processing ...Butyrate Response Factor 1 (BRF1) binds and destabilizes mRNA / Tristetraprolin (TTP, ZFP36) binds and destabilizes mRNA / nuclear polyadenylation-dependent antisense transcript catabolic process / nuclear polyadenylation-dependent snoRNA catabolic process / nuclear polyadenylation-dependent snRNA catabolic process / mRNA decay by 3' to 5' exoribonuclease / U1 snRNA 3'-end processing / nuclear polyadenylation-dependent CUT catabolic process / nuclear polyadenylation-dependent mRNA catabolic process / U5 snRNA 3'-end processing / cytoplasmic exosome (RNase complex) / TRAMP-dependent tRNA surveillance pathway / CUT catabolic process / U4 snRNA 3'-end processing / nuclear polyadenylation-dependent rRNA catabolic process / nuclear-transcribed mRNA catabolic process, 3'-5' exonucleolytic nonsense-mediated decay / : / poly(A)-dependent snoRNA 3'-end processing / exosome (RNase complex) / nuclear exosome (RNase complex) / nuclear-transcribed mRNA catabolic process, non-stop decay / exonucleolytic trimming to generate mature 3'-end of 5.8S rRNA from tricistronic rRNA transcript (SSU-rRNA, 5.8S rRNA, LSU-rRNA) / : / rRNA catabolic process / post-transcriptional tethering of RNA polymerase II gene DNA at nuclear periphery / histone mRNA catabolic process / nuclear mRNA surveillance / rRNA primary transcript binding / RNA catabolic process / rRNA metabolic process / Major pathway of rRNA processing in the nucleolus and cytosol / mRNA catabolic process / RNA processing / mRNA processing / manganese ion binding / Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters / 3'-5'-RNA exonuclease activity / single-stranded RNA binding / nucleotide binding / nucleolus / RNA binding / nucleoplasm / nucleus / cytoplasm
Similarity search - Function
OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #880 / : / Exosome complex component CSL4, N-terminal domain / Exosome complex exonuclease Rrp40, N-terminal / Exosome complex exonuclease Rrp40 N-terminal domain / RRP4, S1 domain / Exosome complex component RRP45 / Rrp40, S1 domain / : / : ...OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #880 / : / Exosome complex component CSL4, N-terminal domain / Exosome complex exonuclease Rrp40, N-terminal / Exosome complex exonuclease Rrp40 N-terminal domain / RRP4, S1 domain / Exosome complex component RRP45 / Rrp40, S1 domain / : / : / Exosome complex component RRP40, S1 domain / Exosome-associated factor Rrp6, N-terminal / Exosome complex component CSL4, C-terminal / Exosome complex component, N-terminal domain / Exosome complex component Csl4 / Exosome complex exonuclease Rrp6-like / PMC2NT (NUC016) domain / Exosome component EXOSC1/CSL4 / Exosome complex exonuclease RRP4 N-terminal region / : / HRDC domain / Exosome complex RNA-binding protein 1/RRP40/RRP4 / KH domain / GHMP Kinase, N-terminal domain / Helicase and RNase D C-terminal / HRDC domain / HRDC domain / HRDC domain profile. / K Homology domain, type 1 / Exoribonuclease, phosphorolytic domain 2 / 3' exoribonuclease family, domain 2 / Exoribonuclease, phosphorolytic domain 1 / PNPase/RNase PH domain superfamily / Exoribonuclease, PH domain 2 superfamily / 3' exoribonuclease family, domain 1 / HRDC domain superfamily / 3'-5' exonuclease / K Homology domain, type 1 / 3'-5' exonuclease / 3'-5' exonuclease domain / RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain / Ribosomal Protein S8; Chain: A, domain 1 / K Homology domain, type 1 superfamily / Ribosomal Protein S5; domain 2 / HRDC-like superfamily / Nucleic acid-binding proteins / Ribonuclease H-like superfamily/Ribonuclease H / DNA polymerase; domain 1 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Nucleotidyltransferase; domain 5 / Ribonuclease H superfamily / Ribonuclease H-like superfamily / Ribosomal protein S5 domain 2-type fold / Nucleic acid-binding, OB-fold / Beta Barrel / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
PHOSPHATE ION / RNA / RNA (> 10) / Exosome complex component RRP43 / Exosome complex component RRP4 / Exosome complex component SKI6 / Exosome complex component MTR3 / Exosome complex component RRP46 / Exosome complex component CSL4 / Exosome complex component RRP45 ...PHOSPHATE ION / RNA / RNA (> 10) / Exosome complex component RRP43 / Exosome complex component RRP4 / Exosome complex component SKI6 / Exosome complex component MTR3 / Exosome complex component RRP46 / Exosome complex component CSL4 / Exosome complex component RRP45 / Exosome complex component RRP40 / Exosome complex exonuclease RRP6 / Exosome complex component RRP42
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsLima, C.D. / Wasmuth, E.V.
CitationJournal: Nature / Year: 2014
Title: Structure of an Rrp6-RNA exosome complex bound to poly(A) RNA.
Authors: Wasmuth, E.V. / Januszyk, K. / Lima, C.D.
History
DepositionJan 29, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 2, 2014Provider: repository / Type: Initial release
Revision 1.1Aug 27, 2014Group: Database references
Revision 1.2Nov 22, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 1.3Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Exosome complex component RRP45
B: Exosome complex component SKI6
C: Exosome complex component RRP43
D: Exosome complex component RRP46
E: Exosome complex component RRP42
F: Exosome complex component MTR3
G: Exosome complex component RRP40
H: Exosome complex component RRP4
I: Exosome complex component CSL4
J: Exosome complex exonuclease RRP6
S: POLY A RNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)359,65617
Polymers359,10511
Non-polymers5526
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area45950 Å2
ΔGint-268 kcal/mol
Surface area116210 Å2
MethodPISA
Unit cell
Length a, b, c (Å)193.292, 200.083, 97.405
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212

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Components

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Exosome complex component ... , 9 types, 9 molecules ABCDEFGHI

#1: Protein Exosome complex component RRP45 / / Ribosomal RNA-processing protein 45


Mass: 34001.859 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp41/Rrp45
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: D9954.1, RRP45, YDR280W / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: Q05636
#2: Protein Exosome complex component SKI6 / / Extracellular mutant protein 20 / Ribosomal RNA-processing protein 41 / Superkiller protein 6


Mass: 28007.129 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp41/Rrp45
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: ECM20, G7587, RRP41, SKI6, YGR195W / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P46948
#3: Protein Exosome complex component RRP43 / / Ribosomal RNA-processing protein 43


Mass: 44060.934 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp46/Rrp43
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP43, YCR035C, YCR35C, YCR522 / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P25359
#4: Protein Exosome complex component RRP46 / / Ribosomal RNA-processing protein 46


Mass: 24574.324 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp46/Rrp43
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP46, YGR095C / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P53256
#5: Protein Exosome complex component RRP42 / / Ribosomal RNA-processing protein 42


Mass: 29492.574 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp42/Mtr3
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP42, YDL111C / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: Q12277
#6: Protein Exosome complex component MTR3 / / mRNA transport regulator 3


Mass: 27603.988 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp42/Mtr3
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: G6676, MTR3, YGR158C / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL
References: UniProt: P48240, Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters
#7: Protein Exosome complex component RRP40 / / Ribosomal RNA-processing protein 40


Mass: 26990.756 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp40
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP40, YOL142W / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: Q08285
#8: Protein Exosome complex component RRP4 / / Ribosomal RNA-processing protein 4


Mass: 39877.574 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp4
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP4, YHR069C / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P38792
#9: Protein Exosome complex component CSL4 / / CEP1 synthetic lethal protein 4


Mass: 32026.684 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Csl4
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: CSL4, N1154, SKI4, YNL232W / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P53859

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Protein / RNA chain , 2 types, 2 molecules JS

#10: Protein Exosome complex exonuclease RRP6 / Ribosomal RNA-processing protein 6


Mass: 64612.707 Da / Num. of mol.: 1 / Mutation: D238N
Source method: isolated from a genetically manipulated source
Details: expressed as Smt3-Rrp6
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: S288C / Gene: RRP6, UNC733, YOR001W / Plasmid: pSmt3 pRSFDue1-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL
References: UniProt: Q12149, Hydrolases; Acting on ester bonds; Exoribonucleases producing 5'-phosphomonoesters
#11: RNA chain POLY A RNA


Mass: 7855.983 Da / Num. of mol.: 1 / Source method: obtained synthetically

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Non-polymers , 4 types, 6 molecules

#12: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#13: Chemical ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL / 2-Methyl-2,4-pentanediol


Mass: 118.174 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O2 / Comment: precipitant*YM
#14: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / MES (buffer)


Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#15: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO4

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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: 2.62 Å3/Da / Density % sol: 53.1 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.7
Details: 7-11% PEG3350, 100 mM MES pH 6.7, 4-15% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.075 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 29, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.075 Å / Relative weight: 1
ReflectionResolution: 3.3→50 Å / Num. obs: 56332 / % possible obs: 97.7 % / Observed criterion σ(F): -1 / Observed criterion σ(I): -1 / Redundancy: 5.2 % / Biso Wilson estimate: 113.7 Å2 / Rmerge(I) obs: 0.061 / Net I/σ(I): 15.5
Reflection shellResolution: 3.3→3.42 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.653 / Mean I/σ(I) obs: 1.4 / % possible all: 96.9

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Processing

Software
NameVersionClassification
CBASSdata collection
PHENIXmodel building
PHENIX(phenix.refine: 1.8.2_1309)refinement
HKL-2000data reduction
SCALEPACKdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 4IFD, 2NN6 AND 2HBL
Resolution: 3.3→48.426 Å / SU ML: 0.55 / σ(F): 1.37 / Phase error: 30.49 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2649 2855 5.07 %
Rwork0.2268 --
obs0.2288 56321 97.73 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.3→48.426 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21445 119 26 0 21590
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00221966
X-RAY DIFFRACTIONf_angle_d0.47429765
X-RAY DIFFRACTIONf_dihedral_angle_d8.5248251
X-RAY DIFFRACTIONf_chiral_restr0.0323470
X-RAY DIFFRACTIONf_plane_restr0.0023805
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3-3.35690.40021300.35352656X-RAY DIFFRACTION97
3.3569-3.41790.39271410.35942575X-RAY DIFFRACTION97
3.4179-3.48360.34841450.35712628X-RAY DIFFRACTION97
3.4836-3.55470.3681220.33172602X-RAY DIFFRACTION97
3.5547-3.6320.35551400.31922665X-RAY DIFFRACTION98
3.632-3.71650.33221550.2972645X-RAY DIFFRACTION98
3.7165-3.80940.3331370.29172633X-RAY DIFFRACTION98
3.8094-3.91230.28681470.27242616X-RAY DIFFRACTION97
3.9123-4.02740.36731440.27322634X-RAY DIFFRACTION97
4.0274-4.15730.31571340.25892640X-RAY DIFFRACTION97
4.1573-4.30580.29261240.2482610X-RAY DIFFRACTION96
4.3058-4.47810.3031600.22092644X-RAY DIFFRACTION97
4.4781-4.68170.2521480.20672631X-RAY DIFFRACTION97
4.6817-4.92830.28311480.21212638X-RAY DIFFRACTION97
4.9283-5.23680.2251330.20772705X-RAY DIFFRACTION99
5.2368-5.64050.2731390.23112727X-RAY DIFFRACTION99
5.6405-6.20710.34461580.24182736X-RAY DIFFRACTION99
6.2071-7.10290.28541650.23292742X-RAY DIFFRACTION100
7.1029-8.93970.23231430.18362822X-RAY DIFFRACTION100
8.9397-48.43070.15731420.16792917X-RAY DIFFRACTION99
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)
11.4897-1.60190.31940.8129-0.69421.18380.13740.1754-0.11230.2-0.20410.5232-0.3910.01890.04211.2872-0.3096-0.03120.7662-0.1361.3781207.723277.1539343.8784
23.22140.0264-0.37631.21130.80441.36640.0711-0.3482-0.11020.72130.06060.1603-0.64050.1375-0.07421.3587-0.13340.17270.7757-0.05350.9336209.895565.7139361.7242
31.31080.71310.18271.90180.28390.0661-0.37510.38040.05550.23640.0543-0.3434-1.09650.24750.13252.1172-0.35940.04540.8131-0.24651.2291209.360990.4139352.6003
41.64690.9551-0.40511.30180.38021.24150.1664-0.25860.257-0.07490.19910.3917-0.2729-1.3347-0.14770.61280.20750.13191.2076-0.05160.7983181.953352.7827354.4613
55.89652.2817-0.46724.1395-2.64625.54460.27751.10320.7419-0.92280.5513-0.5841-0.60180.5999-0.54331.59730.1617-0.02290.7567-0.26341.1041210.237739.8193341.9754
64.0408-2.07690.84722.5013-0.66091.4649-0.37070.31730.05370.28780.1487-0.31740.18330.2910.16680.87030.07430.04430.5877-0.24650.5362206.584447.043346.8814
72.8311.54381.35571.8414-0.56032.40740.27310.19460.4399-0.32820.42660.171-0.32820.1874-0.66141.30860.0506-0.10751.40380.18871.0023187.406858.7094336.0697
81.9851-0.57420.40591.5967-0.20171.92080.07130.18070.09140.0763-0.08380.0743-0.35530.0739-0.00070.64390.01590.11330.66810.05850.7499198.712750.1075350.6143
91.6153-0.45870.4132.3713-0.09441.0907-0.1128-0.05880.48580.66440.1141-0.0255-0.9803-0.6649-0.02451.37080.4130.17060.84470.04530.8311189.002260.5142358.5019
101.1461-0.3428-0.03655.7142-0.35120.6863-0.1154-0.38810.33090.2030.25940.1334-0.3603-0.2408-0.09351.24710.07450.27130.6186-0.20160.7717195.243566.3872362.087
113.75120.18430.40534.10410.17333.8289-0.0285-0.5719-0.1670.3214-0.06380.70660.0429-0.9470.13570.820.09640.18110.90060.02220.9548187.541846.3818364.5747
121.09040.81840.33330.71770.1620.0258-0.26971.28910.13010.21820.48370.1205-0.35090.3964-0.2541.31770.03330.25031.40040.19750.9909244.827248.3524305.2169
131.4474-0.91220.00382.14650.28151.5369-0.09840.5064-0.1145-1.1107-0.13060.4866-0.0707-0.04470.19811.43630.0704-0.24761.220.38240.9313209.910763.4461295.6421
141.50450.37490.47520.58070.45730.9654-0.1753-0.17540.7828-0.0679-0.07480.2427-0.2726-0.17640.2170.9309-0.08490.05280.71750.10721.1002203.922972.7508306.684
151.4604-0.00180.06611.33061.06520.51750.04820.29750.3724-0.26830.03540.13-0.74660.5172-0.06351.649-0.23690.21191.38560.52941.1898220.164172.2516301.4828
161.743-0.73590.44111.37480.07130.8808-0.3130.41730.40240.42470.01850.0772-0.25790.33250.30851.0714-0.44930.06480.87410.08280.8494226.828970.663329.9362
170.5535-0.2252-0.06870.54460.182.13220.3598-0.31570.5585-0.2483-0.4712-0.305-1.78280.3079-0.21511.734-0.90170.20150.95110.44551.4361227.560683.7617318.9198
180.35950.1893-0.12230.39580.11030.17930.4257-0.290.8890.39220.4287-0.1391-0.18050.13910.62351.6627-2.46430.04671.26290.47811.5071237.569386.3389322.9312
193.626-1.3001-0.66431.39070.08551.4708-0.28220.1406-0.06590.07130.10660.28410.129-0.42030.24330.74480.0266-0.13390.75780.04680.8383189.375821.2817328.6422
203.4395-0.8910.83573.9519-0.47912.27660.6814-0.24360.4965-0.0674-0.40150.1733-0.475-0.7942-0.37780.58820.33330.12441.2803-0.0631.0683179.587949.959331.084
212.18010.03510.65261.5391-0.16333.892-0.0315-0.63930.5881-0.1186-0.15320.0453-0.59370.97330.21210.5630.1117-0.15241.02050.12870.9255191.843346.5383324.1555
223.6787-0.41421.03590.52190.17170.7963-0.45531.3309-0.3885-0.1349-0.54120.7416-0.4582-0.74960.55650.89040.2803-0.14561.869-0.1910.951174.061653.2921324.0192
230.95890.917-0.57963.2810.15193.74310.064-0.0278-0.3964-0.15690.03530.6141-0.3521-0.9173-0.01920.87880.1345-0.07831.16280.14490.9196181.90138.7372329.5083
240.6122-0.4007-0.39461.33090.57770.3344-0.5384-0.3608-0.59950.0226-0.74260.78850.2021-0.6250.9881.13940.40080.18321.67340.00821.5951163.038659.517333.306
251.7443-1.7557-1.3423.28711.37382.9330.2396-0.2971-0.0777-0.27630.01470.8939-0.0656-0.6121-0.12990.4713-0.1345-0.0081.22670.13821.0446179.125533.7904323.7075
262.028-0.2789-0.48493.58250.09551.6285-0.0438-0.60010.1026-0.47410.26020.14420.2708-0.9044-0.09010.5415-0.1527-0.24910.98690.15330.6615183.419629.3532318.4026
270.61770.0378-0.22981.1270.35650.30320.31240.28490.45320.1319-0.34670.59680.22620.6063-0.06761.99770.0601-0.23190.923-0.03141.3834197.300366.7977313.1323
283.35950.01391.08444.0423-0.43785.68530.0628-0.1248-0.0192-0.5484-0.0130.0172-1.2806-0.0420.00440.8783-0.0055-0.05790.80210.0920.5945203.922647.9118298.3833
292.3420.6413-0.43462.36520.54742.3473-0.1008-0.01260.2612-0.4279-0.14080.1373-0.3182-0.01840.33750.83290.0298-0.03370.87250.04880.514201.8141.836309.5149
302.5555-0.5489-0.15663.00680.19593.5-0.03450.67510.0001-0.7397-0.1020.590.0799-0.53930.09411.2045-0.1872-0.21281.2383-0.05930.677191.429534.1214299.588
310.1697-0.43770.35851.0932-0.89680.7482-0.66440.4451-0.56930.0058-0.4014-1.42980.00621.15030.8061.3952-0.29670.43712.15930.33763.2199255.597673.9665328.8465
321.568-0.161-0.16431.3911-0.09270.0230.48670.8961-0.32790.6162-1.212-0.43920.10440.81480.49530.9928-0.3107-0.11522.39630.14511.2046250.942468.9615330.1058
332.2539-0.245-0.58621.89750.33862.4289-0.4290.6182-0.14830.20360.2591-0.30920.30840.91110.17850.7369-0.14460.00291.2507-0.06721.1063241.112249.5539348.7834
340.63120.13390.02671.03420.3130.534-0.28960.07250.7960.04670.4318-0.1043-0.47220.58-0.03361.4654-0.6374-0.35591.4819-0.01811.3241.024970.6434360.0518
352.61790.52440.5482.51821.53014.68520.1524-0.41720.23070.0262-0.34850.51270.1396-0.36630.10861.25310.18280.03390.7783-0.06070.8033197.46134.6478366.5097
363.4378-0.17780.59063.11110.08082.1772-0.0777-0.0936-0.36940.180.2501-0.05490.6778-0.0955-0.11810.8983-0.05320.01850.6756-0.04290.6497201.889715.5381342.7045
371.8317-0.41780.54572.21670.02632.11660.48010.768-0.5639-0.834-0.5236-0.22991.01360.0755-0.07911.74520.28660.21011.18540.07751.078212.201415.6186298.6042
381.68110.7360.17631.94950.55711.90320.1132-0.5722-0.40260.0242-0.09060.11850.23890.42580.06310.9494-0.097-0.0531.36650.20841.2467239.909139.1798319.2085
391.6894-0.7906-1.17873.0346-0.11342.0944-0.2729-0.4563-0.17210.41270.4561-0.19480.82950.2469-0.18151.21540.2146-0.08721.2831-0.02570.9881231.541614.5206374.1059
402.3656-0.19890.38641.89620.33691.8755-0.0907-0.25060.03920.50450.0721-0.3185-0.19660.80740.0360.85920.09350.01310.9899-0.0590.6705234.039725.0751371.0398
410.643-0.34940.33240.76740.4242.3750.17120.5019-0.2487-0.5558-0.09780.01570.51520.2119-0.07771.34340.155-0.00131.1381-0.20611.0819237.00689.6399349.4424
420.8666-1.2962-0.05990.87910.18041.124-0.1473-0.4081-0.2797-0.42770.1696-0.09560.7055-0.01540.04522.11060.16920.06111.18030.03231.8653230.85612.8755320.7679
431.1108-0.5555-0.19480.36020.48771.8862-0.63160.1503-0.5291-0.40850.2185-0.42030.01840.30460.39341.37590.0118-0.06391.04820.17031.1165211.532851.3744287.8909
444.5648-1.29182.49780.2398-0.63311.2522-0.16160.5639-0.20810.2545-0.0494-0.0075-0.6550.45550.06191.2313-0.30170.06281.192-0.0261.0236250.385247.8167299.4234
453.14980.67080.77681.01460.7260.5493-0.79811.7021-0.0556-1.32660.54760.3354-0.19650.27150.12181.7323-0.48780.11111.7617-0.082.0214233.067527.3869356.2752
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 201 )
2X-RAY DIFFRACTION2chain 'A' and (resid 202 through 257 )
3X-RAY DIFFRACTION3chain 'A' and (resid 258 through 301 )
4X-RAY DIFFRACTION4chain 'B' and (resid 4 through 54 )
5X-RAY DIFFRACTION5chain 'B' and (resid 55 through 64 )
6X-RAY DIFFRACTION6chain 'B' and (resid 65 through 78 )
7X-RAY DIFFRACTION7chain 'B' and (resid 79 through 94 )
8X-RAY DIFFRACTION8chain 'B' and (resid 95 through 149 )
9X-RAY DIFFRACTION9chain 'B' and (resid 150 through 190 )
10X-RAY DIFFRACTION10chain 'B' and (resid 191 through 210 )
11X-RAY DIFFRACTION11chain 'B' and (resid 211 through 242 )
12X-RAY DIFFRACTION12chain 'C' and (resid 6 through 37 )
13X-RAY DIFFRACTION13chain 'C' and (resid 38 through 75 )
14X-RAY DIFFRACTION14chain 'C' and (resid 76 through 244 )
15X-RAY DIFFRACTION15chain 'C' and (resid 245 through 394 )
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 96 )
17X-RAY DIFFRACTION17chain 'D' and (resid 97 through 187 )
18X-RAY DIFFRACTION18chain 'D' and (resid 188 through 221 )
19X-RAY DIFFRACTION19chain 'E' and (resid 2 through 38 )
20X-RAY DIFFRACTION20chain 'E' and (resid 39 through 82 )
21X-RAY DIFFRACTION21chain 'E' and (resid 83 through 102 )
22X-RAY DIFFRACTION22chain 'E' and (resid 103 through 132 )
23X-RAY DIFFRACTION23chain 'E' and (resid 133 through 150 )
24X-RAY DIFFRACTION24chain 'E' and (resid 151 through 176 )
25X-RAY DIFFRACTION25chain 'E' and (resid 177 through 202 )
26X-RAY DIFFRACTION26chain 'E' and (resid 203 through 264 )
27X-RAY DIFFRACTION27chain 'F' and (resid 5 through 44 )
28X-RAY DIFFRACTION28chain 'F' and (resid 45 through 78 )
29X-RAY DIFFRACTION29chain 'F' and (resid 79 through 198 )
30X-RAY DIFFRACTION30chain 'F' and (resid 199 through 248 )
31X-RAY DIFFRACTION31chain 'G' and (resid 2 through 21 )
32X-RAY DIFFRACTION32chain 'G' and (resid 22 through 59 )
33X-RAY DIFFRACTION33chain 'G' and (resid 60 through 153 )
34X-RAY DIFFRACTION34chain 'G' and (resid 154 through 235 )
35X-RAY DIFFRACTION35chain 'H' and (resid 5 through 99 )
36X-RAY DIFFRACTION36chain 'H' and (resid 100 through 357 )
37X-RAY DIFFRACTION37chain 'I' and (resid 5 through 112 )
38X-RAY DIFFRACTION38chain 'I' and (resid 113 through 291 )
39X-RAY DIFFRACTION39chain 'J' and (resid 128 through 266 )
40X-RAY DIFFRACTION40chain 'J' and (resid 267 through 382 )
41X-RAY DIFFRACTION41chain 'J' and (resid 383 through 484 )
42X-RAY DIFFRACTION42chain 'J' and (resid 485 through 554 )
43X-RAY DIFFRACTION43chain 'J' and (resid 555 through 595 )
44X-RAY DIFFRACTION44chain 'J' and (resid 596 through 628 )
45X-RAY DIFFRACTION45chain 'S' and (resid 19 through 24 )

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