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- PDB-2ex3: Bacteriophage phi29 DNA polymerase bound to terminal protein -

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Basic information

Entry
Database: PDB / ID: 2ex3
TitleBacteriophage phi29 DNA polymerase bound to terminal protein
Components
  • DNA polymerase
  • DNA terminal protein
Keywordstransferase/replication / DNA POLYMERASE: PROTEIN PRIMER COMPLEX / transferase-replication COMPLEX
Function / homology
Function and homology information


viral terminase complex / : / symbiont entry into host cell via disruption of host cell wall peptidoglycan / viral DNA genome packaging / nucleoside binding / virion component => GO:0044423 / viral DNA genome replication / DNA replication, synthesis of primer / exonuclease activity / Hydrolases; Acting on ester bonds; Exodeoxyribonucleases producing 5'-phosphomonoesters ...viral terminase complex / : / symbiont entry into host cell via disruption of host cell wall peptidoglycan / viral DNA genome packaging / nucleoside binding / virion component => GO:0044423 / viral DNA genome replication / DNA replication, synthesis of primer / exonuclease activity / Hydrolases; Acting on ester bonds; Exodeoxyribonucleases producing 5'-phosphomonoesters / DNA replication / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / hydrolase activity / nucleotide binding / host cell nucleus / DNA binding / metal ion binding
Similarity search - Function
DNA terminal protein Gp3, priming domain / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #960 / DNA terminal protein Gp3 / DNA terminal protein Gp3 superfamily / DNA terminal protein Gp3, C-terminal / Phi-29 DNA terminal protein GP3 / TPR 1 domain of DNA polymerase / TPR 1 domain of DNA polymerase / DNA polymerase; domain 5 / DNA-directed DNA polymerase, family B, mitochondria/virus ...DNA terminal protein Gp3, priming domain / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #960 / DNA terminal protein Gp3 / DNA terminal protein Gp3 superfamily / DNA terminal protein Gp3, C-terminal / Phi-29 DNA terminal protein GP3 / TPR 1 domain of DNA polymerase / TPR 1 domain of DNA polymerase / DNA polymerase; domain 5 / DNA-directed DNA polymerase, family B, mitochondria/virus / DNA-directed DNA polymerase, family B, phi29-like virus / DNA polymerase type B, organellar and viral / DNA polymerase; domain 6 / Rhinovirus 14, subunit 4 / B family DNA polymerase, finger domain / Palm domain of DNA polymerase / B family DNA polymerase, palm domain / Substrate Binding Domain Of Dnak; Chain:A; Domain 2 / DNA polymerase family B signature. / DNA-directed DNA polymerase, family B, conserved site / DNA polymerase, palm domain superfamily / DNA polymerase type-B family / DNA-directed DNA polymerase, family B / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Ribonuclease H-like superfamily/Ribonuclease H / Helix non-globular / Special / Few Secondary Structures / Irregular / Helix Hairpins / Nucleotidyltransferase; domain 5 / Ribonuclease H superfamily / Ribonuclease H-like superfamily / DNA/RNA polymerase superfamily / Alpha-Beta Complex / Up-down Bundle / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
LEAD (II) ION / DNA polymerase / Primer terminal protein
Similarity search - Component
Biological speciesBacillus phage phi29 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsKamtekar, S. / Berman, A.J. / Wang, J. / de Vega, M. / Blanco, L. / Salas, M. / Steitz, T.A.
CitationJournal: Embo J. / Year: 2006
Title: The phi29 DNA polymerase:protein-primer structure suggests a model for the initiation to elongation transition
Authors: Kamtekar, S. / Berman, A.J. / Wang, J. / Lazaro, J.M. / de Vega, M. / Blanco, L. / Salas, M. / Steitz, T.A.
History
DepositionNov 7, 2005Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 14, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 1.3Oct 18, 2017Group: Refinement description / Category: software
Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version
Revision 1.4Oct 20, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_conn_angle ...database_2 / 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_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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_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_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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.5Feb 14, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id
Revision 1.6Apr 3, 2024Group: Refinement description / Category: pdbx_initial_refinement_model
Remark 999SEQUENCE 34 residues of the N-terminal domain of terminal protein (residues 1-70) have been modeled ...SEQUENCE 34 residues of the N-terminal domain of terminal protein (residues 1-70) have been modeled as a poly-alanine sequence (the density in this domain is not good enough to allow sequence assignment). The residue numbers of the alanines in this region do not match residue numbers in the terminal protein sequence. These 34 residues have been noted as UNK for unkown residues. The actual sequence for first 70 residues are MARSPRIRIK DNDKAEYARL VKNTKAKIAR TKKKYGVDLT AEIDIPDLDS FETRAQFNKW KEQASSFTNR

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA polymerase
B: DNA terminal protein
C: DNA polymerase
D: DNA terminal protein
E: DNA polymerase
F: DNA terminal protein
G: DNA polymerase
H: DNA terminal protein
I: DNA polymerase
J: DNA terminal protein
K: DNA polymerase
L: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)558,53928
Polymers555,22412
Non-polymers3,31516
Water00
1
A: DNA polymerase
B: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,1595
Polymers92,5372
Non-polymers6223
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4980 Å2
ΔGint-2 kcal/mol
Surface area37450 Å2
MethodPISA
2
C: DNA polymerase
D: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,1595
Polymers92,5372
Non-polymers6223
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4890 Å2
ΔGint-2 kcal/mol
Surface area37170 Å2
MethodPISA
3
E: DNA polymerase
F: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,1595
Polymers92,5372
Non-polymers6223
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4820 Å2
ΔGint0 kcal/mol
Surface area37500 Å2
MethodPISA
4
G: DNA polymerase
H: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,1595
Polymers92,5372
Non-polymers6223
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4720 Å2
ΔGint-2 kcal/mol
Surface area37440 Å2
MethodPISA
5
I: DNA polymerase
J: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,9524
Polymers92,5372
Non-polymers4142
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4940 Å2
ΔGint-1 kcal/mol
Surface area37620 Å2
MethodPISA
6
K: DNA polymerase
L: DNA terminal protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,9524
Polymers92,5372
Non-polymers4142
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4760 Å2
ΔGint-2 kcal/mol
Surface area37320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)304.933, 220.281, 217.165
Angle α, β, γ (deg.)90.00, 45.40, 90.00
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
31E
41G
51I
61K
12A
22C
32E
42G
52I
62K
72A
82C
92E
102G
112I
122K
132A
142C
152E
162G
172I
182K
13B
23D
33F
43H
53J
63L
73B
83D
93F
103H
113J
123L

NCS domain segments:

Refine code: 5

Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111ARGARGTHRTHRAA6 - 1896 - 189
211ARGARGTHRTHRCC6 - 1896 - 189
311ARGARGTHRTHREE6 - 1896 - 189
411ARGARGTHRTHRGG6 - 1896 - 189
511ARGARGTHRTHRII6 - 1896 - 189
611ARGARGTHRTHRKK6 - 1896 - 189
112ALAALAPHEPHEAA190 - 271190 - 271
212ALAALAPHEPHECC190 - 271190 - 271
312ALAALAPHEPHEEE190 - 271190 - 271
412ALAALAPHEPHEGG190 - 271190 - 271
512ALAALAPHEPHEII190 - 271190 - 271
612ALAALAPHEPHEKK190 - 271190 - 271
722GLYGLYILEILEAA273 - 304273 - 304
822GLYGLYILEILECC273 - 304273 - 304
922GLYGLYILEILEEE273 - 304273 - 304
1022GLYGLYILEILEGG273 - 304273 - 304
1122GLYGLYILEILEII273 - 304273 - 304
1222GLYGLYILEILEKK273 - 304273 - 304
1332SERSERLYSLYSAA318 - 575318 - 575
1432SERSERLYSLYSCC318 - 575318 - 575
1532SERSERLYSLYSEE318 - 575318 - 575
1632SERSERLYSLYSGG318 - 575318 - 575
1732SERSERLYSLYSII318 - 575318 - 575
1832SERSERLYSLYSKK318 - 575318 - 575
113ALAALAASPASPBB71 - 11435 - 78
213ALAALAASPASPDD71 - 11435 - 78
313ALAALAASPASPFF71 - 11435 - 78
413ALAALAASPASPHH71 - 11435 - 78
513ALAALAASPASPJJ71 - 11435 - 78
613ALAALAASPASPLL71 - 11435 - 78
723THRTHRPHEPHEBB140 - 259104 - 223
823THRTHRPHEPHEDD140 - 259104 - 223
923THRTHRPHEPHEFF140 - 259104 - 223
1023THRTHRPHEPHEHH140 - 259104 - 223
1123THRTHRPHEPHEJJ140 - 259104 - 223
1223THRTHRPHEPHELL140 - 259104 - 223

NCS ensembles :
ID
1
2
3

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Components

#1: Protein
DNA polymerase / Early protein GP2


Mass: 66720.914 Da / Num. of mol.: 6 / Mutation: D12A/D66A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage phi29 (virus) / Genus: Phi29-like viruses / Gene: 2 / Production host: Escherichia coli (E. coli) / References: UniProt: P03680, DNA-directed DNA polymerase
#2: Protein
DNA terminal protein / Protein Gp3


Mass: 25816.377 Da / Num. of mol.: 6 / Fragment: terminal protein
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus phage phi29 (virus) / Genus: Phi29-like viruses / Gene: 3 / Production host: Bacillus subtilis (bacteria) / References: UniProt: P03681
#3: Chemical
ChemComp-PB / LEAD (II) ION


Mass: 207.200 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Pb

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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: 4.86 Å3/Da / Density % sol: 74.69 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7
Details: Polymerase (6.7 mg/ml), terminal protein (3.3 mg/ml) in 50 mM NaCl, 50 mM Tris-HCl pH 7.5, 20 mM Ammonium sulfate, 1 mM dithiothreitol, mixed with an equal volume of well solution containing: ...Details: Polymerase (6.7 mg/ml), terminal protein (3.3 mg/ml) in 50 mM NaCl, 50 mM Tris-HCl pH 7.5, 20 mM Ammonium sulfate, 1 mM dithiothreitol, mixed with an equal volume of well solution containing: 2.0 M sodium/potassium phosphate, pH 7, 100 mM sodium acetate , VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 20, 2004 / Details: Monochromator
RadiationMonochromator: Double flat Si crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3→50 Å / Num. all: 202498 / Num. obs: 202295 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.8 % / Rmerge(I) obs: 0.085 / Χ2: 0.996
Reflection shellResolution: 3→3.11 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0 / Mean I/σ(I) obs: 1.25 / Num. unique all: 20192 / Rsym value: 0.01 / Χ2: 0.957 / % possible all: 100

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
REFMACrefinement
PDB_EXTRACT1.701data extraction
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: A lower resolution partially refined complex determined by heavy atom phasing

Resolution: 3→48.85 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.934 / SU B: 30.749 / SU ML: 0.248 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.652 / ESU R Free: 0.322 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO DATA SETS HAVE BEEN DEPOSITED, THE FIRST DATA SET IS IN C2 CRYSTAL FORM WHICH IS USED FOR REFINEMENT, THE SECOND DATA SET IS IN I23 ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TWO DATA SETS HAVE BEEN DEPOSITED, THE FIRST DATA SET IS IN C2 CRYSTAL FORM WHICH IS USED FOR REFINEMENT, THE SECOND DATA SET IS IN I23 CRYSTAL FORM WHICH IS USED FOR PHASING.
RfactorNum. reflection% reflectionSelection details
Rfree0.229 20161 10 %RANDOM
Rwork0.2 ---
all0.203 182124 --
obs0.203 202285 99.68 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 99.908 Å2
Baniso -1Baniso -2Baniso -3
1--0.5 Å20 Å20.51 Å2
2--0.08 Å20 Å2
3----0.31 Å2
Refinement stepCycle: LAST / Resolution: 3→48.85 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms37092 0 16 0 37108
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.02237932
X-RAY DIFFRACTIONr_angle_refined_deg1.0021.9651126
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.16654560
X-RAY DIFFRACTIONr_dihedral_angle_2_deg34.3724.1031740
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.951156870
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.14515186
X-RAY DIFFRACTIONr_chiral_restr0.0720.25472
X-RAY DIFFRACTIONr_gen_planes_refined0.0030.0228428
X-RAY DIFFRACTIONr_nbd_refined0.1940.215599
X-RAY DIFFRACTIONr_nbtor_refined0.3070.225709
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1310.2916
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1280.249
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.0770.28
X-RAY DIFFRACTIONr_mcbond_it1.61322923
X-RAY DIFFRACTIONr_mcangle_it2.81436690
X-RAY DIFFRACTIONr_scbond_it4.723616687
X-RAY DIFFRACTIONr_scangle_it7.498914436
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A736MEDIUM POSITIONAL0.090.25
12C736MEDIUM POSITIONAL0.10.25
13E736MEDIUM POSITIONAL0.10.25
14G736MEDIUM POSITIONAL0.10.25
15I736MEDIUM POSITIONAL0.090.25
16K736MEDIUM POSITIONAL0.090.25
11A792LOOSE POSITIONAL0.240.5
12C792LOOSE POSITIONAL0.220.5
13E792LOOSE POSITIONAL0.240.5
14G792LOOSE POSITIONAL0.240.5
15I792LOOSE POSITIONAL0.270.5
16K792LOOSE POSITIONAL0.270.5
11A736MEDIUM THERMAL15
12C736MEDIUM THERMAL0.975
13E736MEDIUM THERMAL0.955
14G736MEDIUM THERMAL15
15I736MEDIUM THERMAL0.995
16K736MEDIUM THERMAL0.915
11A792LOOSE THERMAL2.3610
12C792LOOSE THERMAL2.3210
13E792LOOSE THERMAL2.1710
14G792LOOSE THERMAL2.3210
15I792LOOSE THERMAL2.3810
16K792LOOSE THERMAL2.4610
21A1488MEDIUM POSITIONAL0.190.25
22C1488MEDIUM POSITIONAL0.160.25
23E1488MEDIUM POSITIONAL0.120.25
24G1488MEDIUM POSITIONAL0.150.25
25I1488MEDIUM POSITIONAL0.130.25
26K1488MEDIUM POSITIONAL0.160.25
21A1517LOOSE POSITIONAL0.30.5
22C1517LOOSE POSITIONAL0.270.5
23E1517LOOSE POSITIONAL0.230.5
24G1517LOOSE POSITIONAL0.280.5
25I1517LOOSE POSITIONAL0.250.5
26K1517LOOSE POSITIONAL0.290.5
21A1488MEDIUM THERMAL1.045
22C1488MEDIUM THERMAL1.065
23E1488MEDIUM THERMAL0.985
24G1488MEDIUM THERMAL0.995
25I1488MEDIUM THERMAL0.935
26K1488MEDIUM THERMAL1.075
21A1517LOOSE THERMAL2.6210
22C1517LOOSE THERMAL2.4710
23E1517LOOSE THERMAL2.4610
24G1517LOOSE THERMAL2.4910
25I1517LOOSE THERMAL2.3410
26K1517LOOSE THERMAL2.5110
31B764MEDIUM POSITIONAL0.210.25
32D764MEDIUM POSITIONAL0.150.25
33F764MEDIUM POSITIONAL0.140.25
34H764MEDIUM POSITIONAL0.250.25
35J764MEDIUM POSITIONAL0.20.25
36L764MEDIUM POSITIONAL0.180.25
31B711LOOSE POSITIONAL0.410.5
32D711LOOSE POSITIONAL0.430.5
33F711LOOSE POSITIONAL0.280.5
34H711LOOSE POSITIONAL0.460.5
35J711LOOSE POSITIONAL0.40.5
36L711LOOSE POSITIONAL0.340.5
31B764MEDIUM THERMAL0.995
32D764MEDIUM THERMAL0.935
33F764MEDIUM THERMAL0.865
34H764MEDIUM THERMAL0.995
35J764MEDIUM THERMAL0.935
36L764MEDIUM THERMAL0.915
31B711LOOSE THERMAL2.6810
32D711LOOSE THERMAL2.2910
33F711LOOSE THERMAL2.2310
34H711LOOSE THERMAL2.4810
35J711LOOSE THERMAL2.3710
36L711LOOSE THERMAL2.3810
LS refinement shellResolution: 3→3.08 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.357 1431 -
Rwork0.318 12969 -
obs-14400 96.57 %
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)
14.0413-0.02280.64982.03850.87535.85950.0323-0.45280.0730.2379-0.06650.22930.2405-0.29390.0342-0.37040.01160.009-0.1365-0.0677-0.347225.711466.6512-31.2429
24.9946-0.90570.92062.43310.18224.22120.1930.28840.0908-0.3289-0.1544-0.21480.33220.5749-0.0386-0.29820.19430.01040.03260.0482-0.3826-31.293844.8142-129.9906
32.4338-0.14940.6726.0181-1.24513.6732-0.05870.20510.0578-0.35110.08960.3849-0.0796-0.2145-0.0309-0.1373-0.0295-0.2029-0.26460.0547-0.255973.1051-2.8353-18.0324
43.57510.2387-1.72244.02031.3694.9790.1917-0.02450.2828-0.1059-0.1180.0963-0.67380.1056-0.0737-0.2012-0.05950.1226-0.3482-0.0255-0.302747.608270.1887-111.5428
54.5344-1.201-1.88474.12770.12783.6988-0.106-0.1421-0.4692-0.1522-0.12120.06030.32410.10580.2272-0.32860.06920.0964-0.34020.0976-0.184442.587842.083151.1148
64.73121.13780.65625.9813-0.06422.7272-0.00870.2963-0.0439-0.24970.2020.49880.0049-0.0466-0.1933-0.204-0.0368-0.1082-0.41040.0459-0.0836-17.353116.2604-79.9844
72.8853-0.07791.08520.5422-0.19272.96010.13580.08260.06030.1286-0.13620.1941-0.0004-0.20810.0004-0.2340.25240.0111-0.31760.0055-0.380663.180364.1145-20.9639
82.9760.00941.01010.59050.13033.3490.05030.2871-0.0856-0.2029-0.1793-0.12040.1961-0.02790.129-0.4407-0.01540.0097-0.2544-0.1782-0.2096-21.610348.9732-93.0478
91.9550.39230.52883.74720.08031.32120.01490.13550.0523-0.18950.1590.14070.2479-0.111-0.1739-0.14420.1984-0.0458-0.25190.0251-0.441684.593730.2275-2.0155
102.45410.1088-1.69571.5335-0.10572.4392-0.05940.0546-0.0139-0.050.0012-0.2136-0.25330.09430.0582-0.4362-0.064-0.0022-0.3988-0.202-0.085422.363550.5936-89.4736
113.2270.1142-2.1911.28460.03172.99770.11330.0337-0.09560.2460.01680.0306-0.0936-0.0788-0.1301-0.19810.23450.0071-0.25820.1007-0.330662.305959.700422.999
121.00460.2380.4064.3937-0.02641.3971-0.1065-0.0530.2011-0.0368-0.0121-0.1767-0.1093-0.25450.1186-0.417-0.0046-0.0271-0.3566-0.15630.0256-1.603282.3509-71.093
1326.8635-17.0117-1.883613.10173.17931.82650.0928-0.49830.29340.2145-0.0129-0.42850.1397-0.4736-0.0799-0.076-0.04130.09620.1235-0.0408-0.269436.599468.7622-12.3112
141.2987-1.2048-3.51321.13263.3419.95110.18280.05020.3304-0.5899-0.3592-0.4363-0.26590.64210.1764-0.1820.39540.07620.58150.07960.0627-12.414343.7104-119.0869
150.52741.89142.68576.982510.824120.8172-0.27630.16330.2439-0.18320.32760.8831-0.27340.1425-0.05130.12990.0547-0.25910.05890.21720.028370.464918.1211-23.2346
1616.64412.8123-1.528412.5667-0.20270.75150.365-0.16720.697-0.177-0.15750.3184-0.4862-0.2804-0.20750.2459-0.01680.1224-0.19-0.0803-0.102434.011175.7769-95.2096
170.22260.6976-1.02267.798-9.518811.8021-0.27110.1729-0.5307-0.38160.0725-0.25830.5225-0.23540.19860.03780.22280.1738-0.03860.06360.157957.725335.544736.8018
1818.6245-10.60361.56977.4491-1.69750.58980.16910.4329-0.0486-0.62610.03310.32510.1463-0.1994-0.20230.0426-0.0926-0.1404-0.2124-0.05210.2552-22.940595.6539-83.8316
191.477-0.54920.66965.6303-1.25372.62580.19190.93450.2954-0.7201-0.06170.0674-0.28980.0512-0.1302-0.15950.21870.00870.0590.1349-0.386363.873476.6702-38.3696
201.1366-0.0450.68474.5499-0.39071.6864-0.0455-0.0268-0.3757-0.19620.00330.79620.5335-1.02590.0422-0.2939-0.28280.01210.161-0.1713-0.1194-38.978436.4384-91.8678
213.9533-0.6483-2.25492.14730.75913.1816-0.046-0.0082-0.76150.47510.1025-0.59070.72920.5588-0.0565-0.08230.2918-0.2012-0.2176-0.082-0.0947102.591418.5628-1.7504
223.61890.33181.37420.7871-0.05993.6201-0.23480.3106-0.6738-0.19940.0562-0.66240.72910.72740.1786-0.29260.09540.1454-0.3182-0.11890.219239.67738.003-89.1911
232.98840.64412.08620.98010.58364.20520.2993-0.51470.81240.6483-0.06460.138-0.7345-0.1713-0.23470.18830.07280.2113-0.1994-0.1-0.095364.309273.724539.1527
242.4065-0.3581-2.46572.22660.28913.75310.0049-0.67170.57010.91520.0316-0.57-0.72050.1055-0.03650.07450.0212-0.2747-0.2598-0.2250.0701-0.638892.5935-52.2184
2510.7973.0126-2.9942.5399-1.12962.5113-0.01240.47410.9214-0.2534-0.25890.1953-0.7043-0.28420.27130.03290.332-0.1433-0.08210.0731-0.140742.214689.6984-29.8607
263.13130.2897-4.55931.5447-3.240711.87360.35980.415-0.6079-0.0151-0.59070.06240.5563-0.36420.23080.0054-0.058-0.12820.0736-0.18370.0168-29.946322.6726-112.8499
2710.94653.23325.08192.03142.28463.87240.36710.1306-0.209-0.4120.0505-0.60750.86650.348-0.41760.23120.1988-0.0058-0.0634-0.048-0.194896.95789.8011-26.2965
281.48331.776-1.64958.7038-4.85843.85340.0264-0.4345-0.3926-0.2506-0.0757-0.7884-0.03110.86250.0493-0.3555-0.12050.04580.1665-0.17520.129155.216959.5851-86.5673
296.26566.2518-1.664610.7714-2.87770.9361-0.1001-0.95690.08380.73660.1473-0.0484-0.34450.7233-0.04720.0440.13740.08020.2814-0.0141-0.347468.138953.224855.8542
306.2605-2.86946.39864.6299-5.21668.1134-0.2507-0.36960.39510.94870.18950.5659-0.3396-0.29330.06130.04840.07870.1839-0.2811-0.20560.2532-25.1328102.1562-56.6998
315.54874.9917-2.342718.9876-1.59561.0072-0.1734-0.64470.1044-1.6412-0.3975-0.6088-2.09830.36370.57090.4107-0.33550.17570.8142-0.08570.562102.0169103.005-6.8657
322.256-1.38051.793620.4466-10.0035.47180.7870.2557-2.02530.1872-0.27391.0856-0.25790.4303-0.51310.56940.03480.20360.71310.31950.464-8.149311.4261-52.6022
3320.77050.5699-10.12910.2312-1.746714.94670.058-0.79630.4999-0.7618-1.3575-1.74230.6140.91341.29950.3899-0.3543-0.12820.51860.09870.7471125.100867.6908-15.6313
345.3886-3.0788.2815.3846-2.562414.0215-0.1859-0.4729-0.48740.52861.2232-0.08220.9031.6601-1.03730.7370.1036-0.06630.39240.2950.537224.274732.9233-35.5607
3512.92392.406610.78878.75582.68339.061-0.698-0.59441.0328-0.45210.4631-0.67-0.56490.74540.23490.5051-0.2509-0.05130.25740.04210.7447115.843178.269520.0133
368.9858-0.6097-13.60740.05920.650224.78340.7031-0.9630.49671.6594-0.86420.20520.77590.50110.16110.6716-0.0305-0.2520.5420.29070.4034-14.231542.8037-32.5386
376.4095-1.4638-5.69411.1780.65418.4618-0.3817-0.1381-0.3299-0.040.065-0.3098-0.17520.25360.3167-0.13010.0794-0.1117-0.2848-0.0584-0.132879.460184.55692.0609
3810.9390.7399-7.35261.64560.38495.6120.1170.0339-0.0820.39890.14220.0363-0.174-0.1014-0.2591-0.16610.047-0.0205-0.3063-0.0706-0.12721.381528.7349-75.4958
397.058-2.62146.33241.8702-1.30887.1510.1748-0.31970.13910.1222-0.1853-0.2288-0.12050.0480.0105-0.12250.01420.0707-0.131-0.0121-0.308796.353358.7322-19.2513
402.3944-0.4765-0.241813.19351.30920.4159-0.1705-0.2107-0.088-0.02270.28080.31060.3497-0.0711-0.1104-0.2152-0.1061-0.0281-0.0868-0.0853-0.223817.613955.1746-55.2585
411.4081-1.5987-0.280313.16650.22012.0662-0.06280.05590.5266-0.15120.10250.17720.0080.3004-0.0397-0.27940.0967-0.0641-0.06390.057-0.30796.764154.980215.9214
429.92730.91366.7541.18281.52067.3950.0801-0.0777-0.10850.2235-0.3127-0.11210.07680.24660.2326-0.3282-0.03950.0771-0.2789-0.0212-0.1549-19.056753.3853-60.5346
439.16434.27563.91092.72550.07945.83750.2655-0.3565-0.37270.2643-0.2557-0.14970.51-0.6202-0.0097-0.02170.2063-0.0572-0.1067-0.0369-0.141249.099482.4897-9.6127
445.95331.30052.62973.8521-4.37838.03660.060.33850.26720.1773-0.1455-0.3011-0.29020.59270.0855-0.01880.1483-0.07240.162-0.19820.0436-9.76430.1098-105.9865
456.34535.08-0.521310.8237-1.09230.11030.0094-0.20350.4993-0.1752-0.02710.91370.0794-0.27360.01770.1770.1387-0.07230.00830.032-0.216885.254329.184-27.6972
463.2376-0.292-3.72472.5177-3.707810.84850.26620.29410.0469-0.21610.05730.1956-0.8251-0.4199-0.3235-0.1107-0.10380.044-0.0891-0.20630.036136.539268.7304-77.911
479.13693.2444-3.7942.28910.23413.7744-0.24850.0475-0.5904-0.4095-0.09660.06040.1595-0.21180.34510.02670.24640.04580.05660.1073-0.151675.293142.675837.1631
480.1150.60910.430412.2621-3.54275.3623-0.17810.3642-0.005-0.67160.24830.33150.18010.2098-0.0703-0.25020.00450.0081-0.0544-0.16590.3299-27.236783.6705-69.5578
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION / Selection: ALL

IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11AA6 - 1896 - 189
22CC6 - 1896 - 189
33EE6 - 1896 - 189
44GG6 - 1896 - 189
55II6 - 1896 - 189
66KK6 - 1896 - 189
77AA190 - 394190 - 394
88CC190 - 394190 - 394
99EE190 - 394190 - 394
1010GG190 - 394190 - 394
1111II190 - 394190 - 394
1212KK190 - 394190 - 394
1313AA395 - 427395 - 427
1414CC395 - 427395 - 427
1515EE395 - 427395 - 427
1616GG395 - 427395 - 427
1717II395 - 427395 - 427
1818KK395 - 427395 - 427
1919AA428 - 529428 - 529
2020CC428 - 529428 - 529
2121EE428 - 529428 - 529
2222GG428 - 529428 - 529
2323II428 - 529428 - 529
2424KK428 - 529428 - 529
2525AA530 - 575530 - 575
2626CC530 - 575530 - 575
2727EE530 - 575530 - 575
2828GG530 - 575530 - 575
2929II530 - 575530 - 575
3030KK530 - 575530 - 575
3131BB1 - 471 - 34
3232DD1 - 471 - 34
3333FF1 - 471 - 34
3434HH1 - 471 - 34
3535JJ1 - 471 - 34
3636LL1 - 471 - 34
3737BB73 - 17237 - 136
3838DD73 - 17237 - 136
3939FF73 - 17237 - 136
4040HH73 - 17237 - 136
4141JJ73 - 17237 - 136
4242LL73 - 17237 - 136
4343BB173 - 259137 - 223
4444DD173 - 259137 - 223
4545FF173 - 259137 - 223
4646HH173 - 259137 - 223
4747JJ173 - 259137 - 223
4848LL173 - 259137 - 223

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