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- PDB-4p5o: Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~... -

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Basic information

Entry
Database: PDB / ID: 4p5o
TitleStructure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action
Components
  • Cullin-1
  • DCN1-like protein 1
  • E3 ubiquitin-protein ligase RBX1
  • NEDD8-conjugating enzyme Ubc12
  • NEDD8
KeywordsLIGASE / Nedd8 / Cullin / Neddylation / Complex / Ubc12 / Dcn1 / ubiquitin
Function / homology
Function and homology information


E2 NEDD8-conjugating enzyme / NEDD8 conjugating enzyme activity / positive regulation of protein neddylation / ubiquitin-like protein binding / Parkin-FBXW7-Cul1 ubiquitin ligase complex / regulation of protein neddylation / cullin-RING-type E3 NEDD8 transferase / cellular response to chemical stress / NEDD8 transferase activity / cullin-RING ubiquitin ligase complex ...E2 NEDD8-conjugating enzyme / NEDD8 conjugating enzyme activity / positive regulation of protein neddylation / ubiquitin-like protein binding / Parkin-FBXW7-Cul1 ubiquitin ligase complex / regulation of protein neddylation / cullin-RING-type E3 NEDD8 transferase / cellular response to chemical stress / NEDD8 transferase activity / cullin-RING ubiquitin ligase complex / Cul7-RING ubiquitin ligase complex / ubiquitin-dependent protein catabolic process via the C-end degron rule pathway / regulation of proteolysis / Loss of Function of FBXW7 in Cancer and NOTCH1 Signaling / positive regulation of protein autoubiquitination / protein neddylation / ubiquitin conjugating enzyme binding / NEDD8 ligase activity / Cul5-RING ubiquitin ligase complex / SCF-dependent proteasomal ubiquitin-dependent protein catabolic process / ubiquitin-ubiquitin ligase activity / Cul4A-RING E3 ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex / SCF ubiquitin ligase complex / negative regulation of type I interferon production / Cul4B-RING E3 ubiquitin ligase complex / ubiquitin ligase complex scaffold activity / Cul3-RING ubiquitin ligase complex / Prolactin receptor signaling / protein monoubiquitination / TGF-beta receptor signaling activates SMADs / cullin family protein binding / regulation of protein ubiquitination / anatomical structure morphogenesis / protein K48-linked ubiquitination / Nuclear events stimulated by ALK signaling in cancer / ubiquitin ligase complex / positive regulation of TORC1 signaling / Regulation of BACH1 activity / T cell activation / post-translational protein modification / MAP3K8 (TPL2)-dependent MAPK1/3 activation / intrinsic apoptotic signaling pathway / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / Degradation of DVL / Recognition of DNA damage by PCNA-containing replication complex / Dectin-1 mediated noncanonical NF-kB signaling / cellular response to amino acid stimulus / Degradation of GLI1 by the proteasome / Activation of NF-kappaB in B cells / Negative regulation of NOTCH4 signaling / Iron uptake and transport / GSK3B and BTRC:CUL1-mediated-degradation of NFE2L2 / animal organ morphogenesis / Vif-mediated degradation of APOBEC3G / Hedgehog 'on' state / DNA Damage Recognition in GG-NER / Degradation of GLI2 by the proteasome / GLI3 is processed to GLI3R by the proteasome / G1/S transition of mitotic cell cycle / negative regulation of canonical Wnt signaling pathway / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / protein modification process / modification-dependent protein catabolic process / RING-type E3 ubiquitin transferase / Degradation of beta-catenin by the destruction complex / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / protein localization / Dual Incision in GG-NER / Transcription-Coupled Nucleotide Excision Repair (TC-NER) / NOTCH1 Intracellular Domain Regulates Transcription / protein tag activity / Formation of TC-NER Pre-Incision Complex / CLEC7A (Dectin-1) signaling / SCF(Skp2)-mediated degradation of p27/p21 / Constitutive Signaling by NOTCH1 PEST Domain Mutants / Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants / Formation of Incision Complex in GG-NER / Regulation of expression of SLITs and ROBOs / FCERI mediated NF-kB activation / Interleukin-1 signaling / Dual incision in TC-NER / protein polyubiquitination / Orc1 removal from chromatin / Gap-filling DNA repair synthesis and ligation in TC-NER / Regulation of RAS by GAPs / ubiquitin-protein transferase activity / positive regulation of protein catabolic process / Regulation of RUNX2 expression and activity / UCH proteinases / positive regulation of neuron apoptotic process / cellular response to UV / Cyclin D associated events in G1 / ubiquitin protein ligase activity / KEAP1-NFE2L2 pathway / Regulation of PLK1 Activity at G2/M Transition / MAPK cascade / protein-macromolecule adaptor activity / positive regulation of proteasomal ubiquitin-dependent protein catabolic process
Similarity search - Function
Cullin; Chain C, Domain 2 / Cullin Repeats / Potentiating neddylation domain / Defective-in-cullin neddylation protein / DCN1-like, PONY binding domain / Cullin binding / DCUN1 domain profile. / 5 helical Cullin repeat like / Nedd8-like ubiquitin / UBA-like domain ...Cullin; Chain C, Domain 2 / Cullin Repeats / Potentiating neddylation domain / Defective-in-cullin neddylation protein / DCN1-like, PONY binding domain / Cullin binding / DCUN1 domain profile. / 5 helical Cullin repeat like / Nedd8-like ubiquitin / UBA-like domain / Zinc finger, RING-H2-type / RING-H2 zinc finger domain / Cullin protein neddylation domain / Cullin, conserved site / Cullin family signature. / Cullin / Cullin repeat-like-containing domain superfamily / Cullin protein, neddylation domain / Cullin protein neddylation domain / Cullin / Ubiquitin Conjugating Enzyme / Ubiquitin Conjugating Enzyme / Cullin, N-terminal / Cullin homology domain / Cullin homology domain superfamily / Cullin family / Cullin family profile. / Ubiquitin-conjugating enzyme, active site / Ubiquitin-conjugating (UBC) active site signature. / UBA-like superfamily / Ubiquitin-conjugating enzyme E2, catalytic domain homologues / Ubiquitin-conjugating enzyme E2 / Ubiquitin-conjugating enzyme / Ubiquitin-conjugating (UBC) core domain profile. / Ubiquitin-conjugating enzyme/RWD-like / Ribosomal Protein S5; domain 2 / Zinc/RING finger domain, C3HC4 (zinc finger) / Herpes Virus-1 / EF-hand / Recoverin; domain 1 / Ubiquitin conserved site / Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain / Ubiquitin domain / Zinc finger RING-type profile. / Zinc finger, RING-type / Ubiquitin domain signature. / Ubiquitin family / Ubiquitin homologues / Ubiquitin-like domain / Ubiquitin domain profile. / Arc Repressor Mutant, subunit A / Ubiquitin-like domain superfamily / Zinc finger, RING/FYVE/PHD-type / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily / Roll / Up-down Bundle / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
NEDD8-conjugating enzyme Ubc12 / E3 ubiquitin-protein ligase RBX1 / Cullin-1 / NEDD8 / DCN1-like protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1071 Å
AuthorsScott, D.C. / Schulman, B.A.
Funding support United States, 2items
OrganizationGrant numberCountry
Howard Hughes Medical Institute (HHMI) United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM069530 United States
CitationJournal: Cell / Year: 2014
Title: Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8.
Authors: Scott, D.C. / Sviderskiy, V.O. / Monda, J.K. / Lydeard, J.R. / Cho, S.E. / Harper, J.W. / Schulman, B.A.
History
DepositionMar 18, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 2, 2014Provider: repository / Type: Initial release
Revision 1.1Sep 6, 2017Group: Author supporting evidence / Derived calculations ...Author supporting evidence / Derived calculations / Other / Source and taxonomy
Category: entity_src_gen / pdbx_audit_support ...entity_src_gen / pdbx_audit_support / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_conn_angle / pdbx_struct_oper_list
Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization ..._entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Nov 20, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Jan 29, 2020Group: Advisory / Derived calculations / Refinement description
Category: pdbx_struct_assembly / pdbx_struct_assembly_gen ...pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_validate_close_contact / refine_hist / struct_conn / struct_site / struct_site_gen
Item: _pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details / _pdbx_struct_assembly_gen.asym_id_list
Revision 2.0Dec 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Polymer sequence
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity_poly / struct_conn / struct_conn_type
Item: _chem_comp.mon_nstd_flag / _chem_comp.type ..._chem_comp.mon_nstd_flag / _chem_comp.type / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_poly.pdbx_seq_one_letter_code_can / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cullin-1
B: E3 ubiquitin-protein ligase RBX1
E: DCN1-like protein 1
I: NEDD8-conjugating enzyme Ubc12
K: NEDD8
C: Cullin-1
D: E3 ubiquitin-protein ligase RBX1
F: DCN1-like protein 1
G: NEDD8-conjugating enzyme Ubc12
H: NEDD8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)217,83916
Polymers217,44710
Non-polymers3926
Water0
1
A: Cullin-1
B: E3 ubiquitin-protein ligase RBX1
E: DCN1-like protein 1
I: NEDD8-conjugating enzyme Ubc12
K: NEDD8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)108,9208
Polymers108,7235
Non-polymers1963
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Cullin-1
D: E3 ubiquitin-protein ligase RBX1
F: DCN1-like protein 1
G: NEDD8-conjugating enzyme Ubc12
H: NEDD8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)108,9208
Polymers108,7235
Non-polymers1963
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)89.105, 129.606, 119.940
Angle α, β, γ (deg.)90.00, 111.79, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 5 types, 10 molecules ACBDEFIGKH

#1: Protein Cullin-1 / / CUL-1


Mass: 42722.051 Da / Num. of mol.: 2 / Mutation: L421E, V451E, V452K, Y455K, K720R
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CUL1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q13616
#2: Protein E3 ubiquitin-protein ligase RBX1 / Protein ZYP / RING finger protein 75 / RING-box protein 1 / Rbx1 / Regulator of cullins 1


Mass: 12089.677 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RBX1, RNF75, ROC1 / Production host: Escherichia coli (E. coli)
References: UniProt: P62877, Ligases; Forming carbon-nitrogen bonds; Acid-amino-acid ligases (peptide synthases)
#3: Protein DCN1-like protein 1 / DCUN1 domain-containing protein 1 / Defective in cullin neddylation protein 1-like protein 1 / ...DCUN1 domain-containing protein 1 / Defective in cullin neddylation protein 1-like protein 1 / Squamous cell carcinoma-related oncogene


Mass: 23237.461 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: DCUN1D1, DCUN1L1, RP42, SCCRO / Production host: Escherichia coli (E. coli) / References: UniProt: Q96GG9
#4: Protein NEDD8-conjugating enzyme Ubc12 / NEDD8 carrier protein / NEDD8 protein ligase / Ubiquitin-conjugating enzyme E2 M


Mass: 21754.795 Da / Num. of mol.: 2 / Mutation: N103S, C111S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBE2M, UBC12 / Production host: Trichoplusia ni (cabbage looper)
References: UniProt: P61081, Ligases; Forming carbon-nitrogen bonds; Acid-amino-acid ligases (peptide synthases)
#5: Protein NEDD8 / / Neddylin / Neural precursor cell expressed developmentally down-regulated protein 8 / NEDD-8 / ...Neddylin / Neural precursor cell expressed developmentally down-regulated protein 8 / NEDD-8 / Ubiquitin-like protein Nedd8


Mass: 8919.289 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: NEDD8 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15843

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Non-polymers , 1 types, 6 molecules

#6: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn

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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: 2.96 Å3/Da / Density % sol: 58.41 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / Details: 11% PEG3350, 0.2M ammonium citrate, 10mM ATP / PH range: 6.5-6.9

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Data collection

DiffractionMean temperature: 80 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97912 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 7, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97912 Å / Relative weight: 1
ReflectionResolution: 3.1→50 Å / Num. obs: 45594 / % possible obs: 99.9 % / Redundancy: 3.6 % / Net I/σ(I): 13.46

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Processing

SoftwareName: PHENIX / Version: (phenix.refine: 1.8.2_1309) / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.1071→42.133 Å / SU ML: 0.46 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 33.61 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2843 2309 5.08 %
Rwork0.2274 --
obs0.2303 45452 99.51 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.1071→42.133 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13571 0 6 0 13577
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00913857
X-RAY DIFFRACTIONf_angle_d1.23618683
X-RAY DIFFRACTIONf_dihedral_angle_d16.3095225
X-RAY DIFFRACTIONf_chiral_restr0.0492052
X-RAY DIFFRACTIONf_plane_restr0.0062393
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1071-3.17470.39361350.34422559X-RAY DIFFRACTION95
3.1747-3.24850.37931440.32732678X-RAY DIFFRACTION100
3.2485-3.32970.40221440.32592733X-RAY DIFFRACTION100
3.3297-3.41970.36181380.3162698X-RAY DIFFRACTION100
3.4197-3.52030.36051590.26662667X-RAY DIFFRACTION100
3.5203-3.63380.33911460.26182701X-RAY DIFFRACTION100
3.6338-3.76360.32651400.25122688X-RAY DIFFRACTION100
3.7636-3.91420.25671470.24462691X-RAY DIFFRACTION100
3.9142-4.09220.32691160.22212732X-RAY DIFFRACTION100
4.0922-4.30780.28781540.19852690X-RAY DIFFRACTION100
4.3078-4.57730.25981580.18942673X-RAY DIFFRACTION100
4.5773-4.93030.2571490.17722737X-RAY DIFFRACTION100
4.9303-5.42550.25081540.19812710X-RAY DIFFRACTION100
5.4255-6.20840.2571500.21762715X-RAY DIFFRACTION100
6.2084-7.81380.28381380.21962723X-RAY DIFFRACTION100
7.8138-42.13650.21641370.19432748X-RAY DIFFRACTION98
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)
14.0433-0.6538-0.30333.0226-0.6731.2550.0872-0.0268-0.36750.27450.0272-0.0857-0.09840.1388-0.11070.75060.1031-0.09130.74560.01810.5876-6.23221.216717.0742
21.02250.728-0.64871.20320.19481.9546-0.1066-0.311-0.19450.5651-0.03830.22150.4198-0.62840.21221.67780.19210.35331.7881-0.03561.4806-14.62616.484539.5488
32.1924-0.0755-0.9275.78163.27455.15820.44280.66420.61080.0399-1.72670.6171-0.6434-1.37271.05841.41870.23990.25991.2822-0.13911.2468-10.129323.739648.4746
43.81090.69831.13732.5883-0.5622.9863-0.3705-1.2627-0.310.90730.1253-0.51120.64460.18290.21562.3540.1634-0.56091.68310.04631.48484.775817.504853.185
52.0627-1.54980.7292.3883-0.50292.69040.4989-0.53080.48380.2202-0.68130.8648-0.18880.82610.11261.71350.1304-0.10881.7426-0.30891.1249-0.079628.294146.5798
62.4140.2822-0.27353.91740.0671.8716-0.2904-0.1068-0.02160.0330.3161-0.778-0.02960.03070.07990.77270.0657-0.0370.8281-0.01441.08720.67318.63512.5658
72.0743-2.3647-3.21612.62343.59894.8185-0.5163-1.07860.2841-0.41110.85640.4343-0.5229-1.28640.08341.45710.4910.59231.57740.38751.9615-15.396217.459545.0437
8-0.0285-0.0357-0.0161-0.04370.01480.01650.5844-0.3261-0.3235-0.81870.07991.51830.2044-0.0088-0.45461.96510.2570.24631.0973-0.05111.7241-2.3886-6.272335.4071
93.6121-1.60092.29814.16811.43213.2815-0.1571-0.6597-0.06552.31080.25550.17250.756-0.3455-0.30651.67260.2254-0.09271.15660.00531.184412.0854-14.529838.3583
108.6984-2.632.03311.554-1.36591.996-0.6268-0.1323-0.1532-0.0648-0.6979-0.2943-0.4519-0.02451.0121.76880.3451-0.1131.28370.07510.903222.733-14.799139.8744
111.04360.7676-0.61013.44150.38294.6706-0.0440.17590.25611.26460.2258-0.6470.48480.1575-0.11821.43140.28990.26330.97630.10560.886312.2358-4.254536.0432
124.11240.67980.43655.79380.43112.5542-0.8041-0.49620.69321.05170.81210.6836-0.3809-0.2323-0.1881.52570.26390.2611.04750.11271.39037.35570.717630.1189
133.64440.11150.22813.1016-0.28351.58020.0041-0.09880.1309-0.27170.09670.06530.04530.2113-0.03060.697-0.11740.09660.6886-0.00650.5608-6.197-21.788894.4016
144.20490.56780.84454.27110.97115.9578-0.96640.96360.2281-0.8635-0.61582.21110.0239-0.79981.25761.3992-0.0636-0.26451.6669-0.0851.4216-19.8167-8.521880.1962
150.95540.1038-0.23621.1051-0.66321.6686-0.18420.6034-0.2027-0.67640.00010.632-0.75640.02860.27021.5499-0.2349-0.44471.51030.01331.5976-12.7666-10.842268.5231
162.22070.11292.71717.6021.07583.4072-0.5583-0.2505-0.4974-0.25610.3447-0.2898-1.036-0.08250.12561.357-0.2113-0.28191.5689-0.21891.4327-6.1461-22.308962.7007
172.8760.4956-0.42251.5914-0.21090.5126-0.30520.6301-0.6472-0.3043-0.1607-0.196-0.33320.49430.58931.9569-0.16850.30821.7233-0.3071.10582.0782-24.678262.4673
182.4178-0.77620.62832.9380.29961.5854-0.27560.09740.01550.0720.2972-0.37620.01660.05110.05410.7563-0.07580.09190.8493-0.07550.991120.6815-9.257598.8811
196.50291.12720.70884.7543-0.05492.2942-0.66560.64730.41871.02990.976-0.3159-1.2802-0.0714-0.50731.5941-0.202-0.43041.07740.05111.39-12.9341-12.772170.4374
201.42130.7843-1.66670.4255-0.89711.94760.04520.17610.20330.3965-0.19510.21680.618-0.33940.13771.779-0.0094-0.2191.3449-0.16571.9094-2.32318.686475.0925
212.82052.1411-1.81212.39950.837.56721.10340.78280.3776-1.65940.50380.245-0.9219-0.7569-1.25551.7725-0.3952-0.11661.22180.11551.166611.532313.873973.5657
221.99241.135-9.64460.615-0.06942.0058-0.01320.61850.1797-0.2772-0.2966-0.44820.4768-0.17450.251.7134-0.2220.14931.2782-0.04090.881122.620814.185771.5491
231.74020.0932.55675.7324-0.03513.7159-0.480.3820.2718-0.48010.8793-0.4062-0.4781-0.3679-0.50841.6913-0.299-0.25581.20580.17021.30058.6073.544671.2353
245.5809-0.81681.72782.56620.85982.8256-0.0758-0.3405-1.4816-1.42070.6076-0.3130.4105-0.3534-0.56161.5703-0.328-0.18180.93720.05310.91210.57440.995279.1189
252.79780.04011.32073.1487-0.3221.11140.2344-1.7675-0.6408-0.5247-0.3786-0.8380.0127-0.45910.54691.44780.3151-0.26311.91380.0792.525453.7186-22.295133.1256
262.25810.9001-0.65582.17940.35021.8529-0.1984-0.2291-0.38250.5417-0.1433-1.9390.21510.30680.2561.16380.1613-0.04791.13980.24111.883955.9393-10.172826.8072
275.93932.00650.46445.3071-0.51513.64180.72370.6229-0.96230.0088-0.5337-0.6640.1756-0.19540.05371.06350.1285-0.06880.9651-0.38731.375348.5767-0.188916.8993
282.1402-0.0626-0.13982.7831-0.27951.96-0.1591-0.21310.60260.5589-0.0826-0.5812-0.0287-0.13040.20110.87390.0368-0.1330.8845-0.13721.265640.462813.0122.7035
290.54910.66590.39781.222-0.43071.5537-0.12630.54440.5419-0.732-0.7417-1.1639-0.18780.46940.77791.3978-0.270.4561.36270.09772.053654.568716.534576.4784
302.3325-0.24390.47262.09070.01171.4398-0.43740.44890.09630.0112-0.1171-0.069-0.32460.36970.35881.0695-0.2057-0.05711.19910.19441.658855.250910.381186.3849
312.0455-3.6934-0.48612.03214.3181.8606-0.66690.270.01920.80640.4784-0.0084-0.5611-0.13550.19241.29690.0034-0.55281.1519-0.15182.915458.6747-0.021196.6781
322.2236-0.43310.00973.0662-0.58121.31190.10730.07-0.2096-0.3194-0.2424-0.4232-0.0034-0.05460.08680.9654-0.04540.07630.9613-0.0831.33941.2337-11.835889.3513
330.6370.8277-0.91651.0272-0.46533.70860.37550.2245-0.4403-0.5965-0.6081-1.29730.31550.66880.86291.5505-0.10560.14761.71890.20251.936444.1736.501767.5904
341.38950.6886-0.18873.47320.18573.0239-0.13270.24-0.0084-0.52830.33010.2728-0.24060.2553-0.30240.7016-0.1182-0.09350.68140.01390.748916.899819.504695.8743
351.8611-0.0602-1.09052.4763-0.95472.2737-0.0128-0.1543-0.41930.0096-0.16110.08060.3599-0.17840.25660.7395-0.06430.04070.82070.0181.228311.010511.0585113.3096
362.7481-0.21741.0073.32850.05112.45050.0704-0.42560.47940.2213-0.1629-0.1066-0.1313-0.28650.06360.74070.0154-0.06630.7020.01560.727517.431823.9753118.2355
371.9994-0.79322.81384.1865-2.30141.64720.2462-0.52590.45760.41610.41620.0299-1.0306-0.2374-0.60962.1698-0.1969-1.17181.62960.36032.4074-6.169221.946385.9044
381.0883-1.15170.71731.1851-0.77380.45710.23340.3231-0.092-0.52060.18510.2118-0.4302-0.4522-0.01131.52820.088-0.27671.2894-0.00791.55620.082417.612881.6365
393.4571-2.1566-0.45814.4884-2.10052.99780.66970.5613-0.971-0.39490.54850.62971.04310.1244-0.85091.730.0407-0.13981.5530.07092.8789-13.84816.249492.3197
402.0281-1.8381.4254.8721.87954.27570.23720.5753-0.9503-0.44010.64280.49180.7770.4023-0.64031.7636-0.0292-0.57991.3441-0.43112.7534-6.1219.831985.4848
416.54681.5293-1.50973.6322-3.04194.23240.4248-0.70770.3891-0.8902-0.80830.5602-0.18890.79290.49511.3506-0.122-0.03131.25980.24131.7138-2.897114.352796.5829
422.0683-0.4145-0.12351.90760.3931.0397-0.5273-0.14660.27250.21270.0977-0.55410.6616-0.90440.6981.486-0.3365-0.00331.230.13231.4058-7.713324.103294.4957
432.06880.74693.30594.64124.36858.4172-0.79860.11760.8493-0.4382-0.72531.9913-0.1815-0.8961.28821.1131-0.1068-0.18210.9134-0.10421.48726.368511.48895.6006
442.9296-0.74350.87551.26321.13322.04680.1488-0.3092-0.19040.4848-0.7685-0.401-0.5774-0.11790.71921.9160.2874-0.61941.309-0.13531.561145.4778-5.679443.0751
451.15780.0185-0.3692.3880.89162.8483-0.2793-0.35870.14270.71450.29970.31470.37150.2679-0.04920.77620.17130.07130.744-0.04070.87317.9721-22.621816.7937
460.8644-0.4726-0.59331.04890.55163.0238-0.0288-0.14670.31510.2260.23290.3539-0.2459-0.0141-0.22260.74570.06150.08950.73730.04820.876514.0183-13.200110.9112
472.5314-1.3653-0.49682.633-0.12092.62210.12270.15930.1481-0.3089-0.01510.64520.1485-0.0956-0.09960.701-0.02-0.00990.75270.07090.970715.3415-20.4616-7.0478
480.8284-1.3548-0.22832.8214-1.07093.2803-0.1595-0.1566-0.19760.34380.0529-0.52041.4399-0.73630.17551.45840.02890.32690.96910.09391.2689-1.7191-20.146227.9734
496.32453.1789-1.25186.70321.03046.08420.0461-0.0103-0.2293-0.3483-1.39181.3507-0.6062-0.77941.02771.54560.14480.16461.5443-0.2222.4733-12.8853-17.513920.3605
501.78971.2184-0.25632.66671.90182.3660.8145-0.33841.3769-0.0340.32610.5414-0.9644-0.6673-0.67711.4830.09150.49761.1486-0.07972.1308-5.9463-10.211225.5658
516.49291.9909-0.46592.01351.54969.00681.53780.71030.1329-0.0554-0.76231.63180.63260.5173-0.99651.15610.2086-0.12741.24780.30922.198-0.2593-15.677516.0331
520.41990.38291.55126.11433.91086.7051-0.0501-0.17890.55020.03750.20760.76920.53540.0527-0.04721.93710.12490.20681.60390.20182.0696-9.0648-14.834310.5188
530.54540.04080.60860.0180.12010.83140.1017-0.2309-0.0979-0.52330.12880.4123-0.0854-0.2921-0.34171.55630.1690.30411.00790.10212.2476-4.9785-22.832218.2188
542.0077-2.78732.42088.23653.55182.9227-0.646-0.20560.2047-0.54410.39950.1455-0.9075-1.43590.0751.46460.3371-0.06971.20180.10820.81088.5571-9.323512.068
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 416:507)
2X-RAY DIFFRACTION2(chain A and resid 508:581)
3X-RAY DIFFRACTION3(chain A and resid 582:620)
4X-RAY DIFFRACTION4(chain A and resid 621:636)
5X-RAY DIFFRACTION5(chain A and resid 637:691)
6X-RAY DIFFRACTION6(chain A and resid 692:776)
7X-RAY DIFFRACTION7(chain B and resid 23:30)
8X-RAY DIFFRACTION8(chain B and resid 31:42)
9X-RAY DIFFRACTION9(chain B and resid 43:53)
10X-RAY DIFFRACTION10(chain B and resid 54:59)
11X-RAY DIFFRACTION11(chain B and resid 67:90)
12X-RAY DIFFRACTION12(chain B and resid 91:104)
13X-RAY DIFFRACTION13(chain C and resid 416:507)
14X-RAY DIFFRACTION14(chain C and resid 508:523)
15X-RAY DIFFRACTION15(chain C and resid 524:600)
16X-RAY DIFFRACTION16(chain C and resid 601:621)
17X-RAY DIFFRACTION17(chain C and resid 622:691)
18X-RAY DIFFRACTION18(chain C and resid 692:776)
19X-RAY DIFFRACTION19(chain D and resid 21:34)
20X-RAY DIFFRACTION20(chain D and resid 35:40)
21X-RAY DIFFRACTION21(chain D and resid 41:53)
22X-RAY DIFFRACTION22(chain D and resid 54:59)
23X-RAY DIFFRACTION23(chain D and resid 67:76)
24X-RAY DIFFRACTION24(chain D and resid 77:105)
25X-RAY DIFFRACTION25(chain E and resid 62:82)
26X-RAY DIFFRACTION26(chain E and resid 83:147)
27X-RAY DIFFRACTION27(chain E and resid 148:163)
28X-RAY DIFFRACTION28(chain E and resid 164:258)
29X-RAY DIFFRACTION29(chain F and resid 64:95)
30X-RAY DIFFRACTION30(chain F and resid 96:143)
31X-RAY DIFFRACTION31(chain F and resid 144:150)
32X-RAY DIFFRACTION32(chain F and resid 151:258)
33X-RAY DIFFRACTION33(chain G and resid 2:29)
34X-RAY DIFFRACTION34(chain G and resid 30:133)
35X-RAY DIFFRACTION35(chain G and resid 134:158)
36X-RAY DIFFRACTION36(chain G and resid 159:184)
37X-RAY DIFFRACTION37(chain H and resid 1:6)
38X-RAY DIFFRACTION38(chain H and resid 7:15)
39X-RAY DIFFRACTION39(chain H and resid 16:25)
40X-RAY DIFFRACTION40(chain H and resid 26:37)
41X-RAY DIFFRACTION41(chain H and resid 38:55)
42X-RAY DIFFRACTION42(chain H and resid 56:67)
43X-RAY DIFFRACTION43(chain H and resid 68:76)
44X-RAY DIFFRACTION44(chain I and resid 2:12)
45X-RAY DIFFRACTION45(chain I and resid 13:102)
46X-RAY DIFFRACTION46(chain I and resid 103:146)
47X-RAY DIFFRACTION47(chain I and resid 147:184)
48X-RAY DIFFRACTION48(chain K and resid 1:13)
49X-RAY DIFFRACTION49(chain K and resid 14:25)
50X-RAY DIFFRACTION50(chain K and resid 26:38)
51X-RAY DIFFRACTION51(chain K and resid 39:50)
52X-RAY DIFFRACTION52(chain K and resid 51:55)
53X-RAY DIFFRACTION53(chain K and resid 56:70)
54X-RAY DIFFRACTION54(chain K and resid 71:76)

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