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- PDB-2h5n: Crystal Structure of Protein of Unknown Function PG1108 from Porp... -

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Basic information

Entry
Database: PDB / ID: 2h5n
TitleCrystal Structure of Protein of Unknown Function PG1108 from Porphyromonas gingivalis W83
ComponentsHypothetical protein PG_1108
KeywordsSTRUCTURAL GENOMICS / UNKNOWN FUNCTION / hypothetical protein / SAD / MCSG / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics
Function / homologyCo-chaperone DjlA, N-terminal / TerB-like / Tellurite resistance protein TerB / TerB-like / TerB-like / Orthogonal Bundle / Mainly Alpha / metal ion binding / TerB domain-containing protein
Function and homology information
Biological speciesPorphyromonas gingivalis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.01 Å
AuthorsNocek, B. / Bigelow, L. / Moy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)
CitationJournal: To be Published
Title: Crystal structure of hypothetical protein PG_1108 from Porphyromonas gingivalis W83
Authors: Nocek, B. / Bigelow, L. / Moy, S. / Joachimiak, A.
History
DepositionMay 26, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 25, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 1.3Feb 14, 2024Group: 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_database_related / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_related.db_name / _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.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_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_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Remark 300BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 4 CHAIN(S) ...BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 4 CHAIN(S). THE BIOLOGICAL UNIT IS UNKNOWN.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hypothetical protein PG_1108
B: Hypothetical protein PG_1108
C: Hypothetical protein PG_1108
D: Hypothetical protein PG_1108
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6147
Polymers58,5414
Non-polymers733
Water5,963331
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4470 Å2
ΔGint-75 kcal/mol
Surface area24600 Å2
MethodPISA
2
D: Hypothetical protein PG_1108

D: Hypothetical protein PG_1108

B: Hypothetical protein PG_1108
hetero molecules

B: Hypothetical protein PG_1108
hetero molecules

A: Hypothetical protein PG_1108
C: Hypothetical protein PG_1108
hetero molecules

A: Hypothetical protein PG_1108
C: Hypothetical protein PG_1108
hetero molecules


Theoretical massNumber of molelcules
Total (without water)117,22714
Polymers117,0818
Non-polymers1466
Water1448
TypeNameSymmetry operationNumber
crystal symmetry operation1_455x-1,y,z1
crystal symmetry operation3_655-x+1,y,-z+1/21
crystal symmetry operation5_455x-1/2,y+1/2,z1
crystal symmetry operation7_555-x+1/2,y+1/2,-z+1/21
identity operation1_555x,y,z1
crystal symmetry operation3_555-x,y,-z+1/21
Buried area10800 Å2
ΔGint-122 kcal/mol
Surface area47340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)79.961, 84.826, 164.535
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221
Components on special symmetry positions
IDModelComponents
11B-1056-

HOH

21D-211-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Refine code: 4

Dom-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1ILEILEASNASNAA10 - 13210 - 132
2ILEILELYSLYSBB10 - 13110 - 131
3ILEILEASNASNCC10 - 13210 - 132
4METMETASNASNDD11 - 13211 - 132

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Components

#1: Protein
Hypothetical protein PG_1108


Mass: 14635.183 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Porphyromonas gingivalis (bacteria) / Plasmid: pMCSG7 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q7MVF6
#2: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 331 / Source method: isolated from a natural source / Formula: H2O

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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: 2.38 Å3/Da / Density % sol: 48.38 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 20% 1,4 butanediol, 0.1 imidazole pH 8.0, 0.1 M Zn(oAC)2, 0.1M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9795 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 25, 2006
RadiationMonochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 2.01→40 Å / Num. all: 35653 / Num. obs: 35476 / % possible obs: 99.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Rmerge(I) obs: 0.095 / Net I/σ(I): 15.1
Reflection shellResolution: 2.01→2.08 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.466 / Mean I/σ(I) obs: 2 / % possible all: 97.5

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Processing

Software
NameVersionClassification
REFMAC5.2.0019refinement
SBC-Collectdata collection
HKL-2000data scaling
HKL-3000phasing
SHELXDphasing
SHELXEmodel building
MLPHAREphasing
DMphasing
SOLVEphasing
RESOLVEphasing
Cootmodel building
CCP4phasing
RefinementMethod to determine structure: SAD / Resolution: 2.01→40 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.917 / SU B: 8.443 / SU ML: 0.121 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.184 / ESU R Free: 0.172 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.24365 1869 5 %RANDOM
Rwork0.18825 ---
obs0.19094 35476 99.5 %-
all-37345 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 26.528 Å2
Baniso -1Baniso -2Baniso -3
1--2.47 Å20 Å20 Å2
2--2.12 Å20 Å2
3---0.36 Å2
Refinement stepCycle: LAST / Resolution: 2.01→40 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3822 0 3 331 4156
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0170.0223942
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.6211.9875306
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.1425514
X-RAY DIFFRACTIONr_dihedral_angle_2_deg41.39925.973149
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.35815792
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.6951518
X-RAY DIFFRACTIONr_chiral_restr0.1150.2641
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.022798
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.2070.21939
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.2910.22857
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.250.2285
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2660.280
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.3120.220
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.8511.52655
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it1.16124087
X-RAY DIFFRACTIONr_scbond_it2.02731478
X-RAY DIFFRACTIONr_scangle_it3.1294.51219
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Ens-ID: 1 / Number: 836 / Refine-ID: X-RAY DIFFRACTION

Dom-IDAuth asym-IDTypeRms dev position (Å)Weight position
1Amedium positional0.70.5
2Bmedium positional0.70.5
3Cmedium positional0.480.5
4Dmedium positional0.570.5
1Amedium thermal1.152
2Bmedium thermal1.332
3Cmedium thermal0.952
4Dmedium thermal1.112
LS refinement shellResolution: 2.01→2.063 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.286 119 -
Rwork0.223 2492 -
obs--95.99 %
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)
152.3657-9.3812-5.8151.87061.6192.3999-0.0682-0.49130.638-0.00460.0964-0.035-0.02830.2351-0.02830.0535-0.0258-0.054-0.01470.04940.0869-4.596718.716644.1471
20.3968-0.2046-0.0271.91831.30580.9226-0.01530.03760.102-0.05410.0598-0.0830.03540.1271-0.04450.05020.028-0.01240.01930.02180.055722.380811.54333.3357
36.7635-10.44040.648725.1364-6.21243.07270.72980.12270.322-1.4354-0.6568-0.40790.44650.4244-0.07290.1519-0.00480.040.08160.0353-0.01928.29077.184915.7309
44.9783-1.2767-4.42841.6028-1.52939.50780.0302-0.1045-0.1424-0.3295-0.04410.1653-0.10660.1510.01390.0383-0.0023-0.01210.04860.07380.066221.465615.055818.9871
57.567-4.3328-8.7275.01656.370310.8085-0.15610.54460.51020.0822-0.06940.3972-0.3840.10310.2255-0.02850.0214-0.02650.05830.06430.132315.308217.900127.7171
619.8412-7.4947-2.996811.31181.36780.91040.76530.50091.3507-0.8647-0.3058-0.8303-0.65060.1124-0.45950.15730.01050.07160.04710.06080.114224.86822.096631.4028
73.64441.90781.531124.7386-8.302210.78890.1197-0.16830.42120.2357-0.3719-1.5307-0.1070.41030.25220.00370.0380.0162-0.0109-0.0080.211332.38778.729434.1406
810.07051.0867-4.06751.4197-0.39051.64460.0391-0.14660.22020.25070.06770.00630.0408-0.0254-0.10690.07870.059-0.00170.03450.03750.048521.3124.901839.0562
92.9348-0.45934.68438.93753.23799.2727-0.0425-0.0835-0.15920.2519-0.15060.8230.2372-0.6180.19310.02420.04020.04880.01580.00430.097210.945.801236.2903
103.80891.6055-3.91161.6127-4.148110.6907-0.11420.04630.3141-0.1977-0.04440.5465-0.1012-0.05950.15850.03880.0345-0.05130.04360.02490.072615.22438.809925.6811
1123.5069-7.5564-19.006823.79028.368815.60710.13521.02760.4539-1.176-1.0290.9581-0.21210.03720.89370.1667-0.0011-0.2590.06350.05870.018512.90376.027213.451
122.9049-1.41240.58142.8393-0.18524.62080.06070.2735-0.1446-0.1067-0.17580.066-0.092-0.05610.11510.04230.0251-0.05620.054-0.0170.038418.7358-0.949821.928
1310.6895-1.84456.38116.9847-5.75497.0580.2499-0.3079-0.4763-0.020.35260.490.2369-0.3319-0.60250.00740.0187-0.02950.0289-0.02790.046114.0723-0.217429.4575
140.09221.0923-0.050213.00540.0095.8602-0.12450.12160.2305-0.3490.15451.124-0.4404-0.7444-0.03-0.08980.0859-0.07830.15840.08490.21426.12939.116623.82
152.0169-0.69491.58810.6105-0.48272.43970.1430.0568-0.20280.04530.0339-0.0007-0.0301-0.0122-0.17680.0251-0.0223-0.03460.0213-0.01370.058529.92-13.746934.1435
161.2037-3.9631-1.226417.70194.76661.36360.0943-0.0129-0.1025-0.373-0.2370.505-0.1219-0.04620.14260.04390.0031-0.0810.0581-0.00550.012720.0285-13.918919.3043
179.46622.0654.74340.45041.03472.37680.12640.0310.4087-0.18490.0998-0.27070.27080.0731-0.22620.0538-0.0236-0.01080.0268-0.02170.022829.5427-20.975623.3752
181.84765.1987-2.118814.628-5.96192.42990.1589-0.2452-0.3135-0.1079-0.3406-0.80440.09420.4210.18170.0329-0.0192-0.05320.1285-0.02120.017334.3549-22.119531.7615
194.047-6.0687-1.903411.21135.09574.1385-0.0087-0.0008-0.184-0.0270.03180.38180.186-0.0821-0.02320.0463-0.0324-0.0252-0.01820.0081-0.025424.2964-22.899834.2836
200.0308-0.6649-0.046215.9404-1.66124.502-0.1749-0.08960.12670.70770.42290.6587-0.3994-0.4823-0.2481-0.00190.01540.0010.0260.02930.044420.3118-9.631238.4106
217.21365.99362.93685.66161.30313.0918-0.015-0.22840.06280.0058-0.2337-0.20190.0248-0.39590.24870.07640.0066-0.03580.0239-0.00860.032327.7488-5.895838.763
226.0236-2.4808-3.15041.5331.80172.14490.0615-0.09730.1248-0.27260.1122-0.1698-0.1095-0.0675-0.17370.0242-0.0032-0.04490.00680.00690.061137.9847-4.962638.0644
232.83410.79234.1071.41270.46256.34630.34860.0462-0.2157-0.3381-0.134-0.13770.12880.3575-0.2145-0.00720.0404-0.0170.04040.00640.079341.248-9.649132.6827
243.23023.03243.17723.4233.57333.7305-0.04970.089-0.026-0.0733-0.0597-0.2089-0.08720.00510.10950.01680.0021-0.03340.0613-0.00590.020833.0883-12.157824.4965
2531.8308-15.62718.704615.1823-4.072710.19680.55391.6795-0.3999-1.5112-0.8629-0.38320.18590.38290.3090.066-0.01240.02740.128-0.0903-0.163432.7503-11.457712.5
262.43970.4290.68094.2161.75113.62820.01730.15620.1683-0.2257-0.07930.0077-0.1195-0.10730.0620.07880.0287-0.01690.01930.01350.009329.5432-3.463820.6483
276.2544-1.7048-4.2724.84544.39095.29420.06620.33040.30980.01350.084-0.1296-0.2180.0323-0.15010.0340.007-0.04070.01470.0360.007336.1331-2.785726.7337
284.620.81853.749915.2982-6.249116.4721-0.02580.5759-0.5283-0.43980.1775-1.00480.37810.7329-0.1517-0.10240.00050.04850.1141-0.08180.052741.9411-12.947120.7028
297.3981.86433.226219.7753-2.95782.1435-0.12850.08260.1945-0.585-0.21090.3004-0.1063-0.08360.33940.09540.0384-0.02770.15110.071-0.019434.237825.8681-3.0456
303.2546-1.07613.13130.714-0.00265.99080.09780.0658-0.29590.0094-0.10570.10860.0567-0.22570.00790.01560.0056-0.00870.0270.03430.098135.885417.47618.0962
319.1033-3.594-4.06883.2929-2.23939.7099-0.0748-0.8792-0.28660.14870.20060.4589-0.45020.5085-0.1258-0.0367-0.03120.02830.09580.06450.113935.250913.926321.3015
328.1991-3.35452.375613.8271-7.11743.72070.2633-0.04650.12580.28810.21460.3842-0.1484-0.0574-0.47790.02020.01430.01490.07590.00780.032429.306221.221918.4468
336.3866-2.67831.27355.2644-4.8884.8316-0.21150.1550.27230.2464-0.1557-0.0372-0.0945-0.19090.36720.01150.023-0.02710.010.01990.053628.377726.45778.4065
3413.2745-2.47825.313730.2899-2.68022.22260.07020.0211-0.58250.5530.28060.98240.2569-0.2232-0.35080.01830.0281-0.01210.06620.01880.015824.18218.76593.5626
3527.9438-9.1396-6.80973.93485.454712.67690.51230.531-2.45220.1429-0.540.44750.3524-0.04540.02770.0071-0.014-0.143-0.05190.00930.38434.88919.66153.0222
366.36092.9177-2.397815.0487-8.06564.44290.12350.546-0.2518-0.2714-0.19340.0580.01650.19160.06980.03690.0284-0.02950.1090.0337-0.013343.381318.25420.2301
3721.69465.9262-11.02117.67421.26918.62370.09120.27491.017-0.45270.2648-0.0071-0.2045-0.1919-0.3560.09460.02880.00240.0120.07550.059342.733430.4450.366
385.19981.9815-3.73931.3858-2.55914.72860.10160.16390.40860.11320.09410.0705-0.2311-0.2729-0.19570.06960.0093-0.00620.00590.06030.062337.486828.27299.9975
394.804-2.70553.533610.8713-2.07743.4359-0.3134-1.07990.29130.84980.2890.563-0.1106-0.28050.02440.08150.03290.03020.1033-0.0826-0.008638.555927.337623.8245
401.9517-1.2452-3.29971.98130.72787.1779-0.0082-0.08350.05620.11560.0032-0.01540.11390.27480.00510.0185-0.0159-0.01610.04270.03730.048945.537522.414414.3722
417.1882.5501-3.71861.8588-2.62113.70020.1944-0.02630.42210.2818-0.194-0.1702-0.62670.5268-0.00040.05220.0111-0.0440.00410.02250.095644.816131.040812.4786
426.1629-5.49858.19519.1026-2.373316.7077-0.119-0.19290.47890.42220.17920.7527-0.99660.0113-0.06020.15670.04550.0958-0.0720.05120.147435.773636.168911.6951
432.60150.1236-0.94331.18770.56450.6561-0.1530.077-0.20320.0070.0698-0.0210.070.02560.08320.033-0.0197-0.01080.09370.05350.066760.87119.72816.0743
443.68621.46521.56253.76021.50130.90610.0105-0.1177-0.0642-0.0729-0.14180.11280.0203-0.01370.13120.0224-0.0177-0.02570.04610.0510.026554.435820.145318.8431
452.1186-0.15630.02932.2012-0.06160.0020.0528-0.2554-0.12750.03040.0731-0.05640.095-0.0538-0.12580.0656-0.0173-0.05870.06290.01070.000360.214617.952225.0003
469.9678-3.2201-4.50141.68042.70134.4624-0.08550.04670.11410.19360.1595-0.14780.04810.4325-0.0740.05450.0035-0.02540.06040.07040.043464.80469.116717.9808
4738.248530.6276-15.670428.16-8.071511.9335-0.5081-0.1207-2.18790.0972-0.2107-0.68530.75421.0080.71880.03620.0859-0.02930.01820.04470.169668.39386.274713.901
489.5122-2.25570.75793.4697-2.99868.1121-0.0916-0.16230.3333-0.1799-0.06290.0247-0.01570.49130.1545-0.0283-0.01620.00640.04520.02040.002869.063216.217210.7686
498.60845.82572.41810.3062-3.12924.248-0.2445-0.65850.5124-0.26340.07810.3175-0.3193-0.19010.16640.0238-0.00010.04610.0910.01830.011958.872121.55225.4567
504.86682.87874.657912.52393.11664.470.17070.4877-0.2301-0.1863-0.2446-0.0629-0.13120.25140.07390.01520.00470.02630.09160.05680.042152.855513.45042.7961
514.6884-3.4264-1.19916.10376.5679.3032-0.11250.4889-0.6236-0.0866-0.09370.05440.32740.18740.20620.0366-0.025-0.05610.0206-0.00840.151252.89131.58283.4407
523.43072.34072.98442.5542.08368.565-0.0233-0.1325-0.53160.01240.0898-0.10760.09860.0895-0.06650.0262-0.0051-0.0118-0.02330.07020.112755.49014.543713.6791
535.3786-6.76470.225210.236-2.499112.53850.4398-0.4495-0.07450.302-0.32210.0530.09490.0624-0.11770.05-0.0514-0.00770.12990.1205-0.057550.111710.868227.3151
541.6435-0.48551.43811.61711.03715.23190.067-0.1875-0.1708-0.0735-0.02650.0260.0961-0.2909-0.04050.0064-0.0215-0.01610.03240.07940.100146.442711.003714.8224
558.94121.53740.72490.6491-1.39369.15970.1362-0.2076-0.7740.05040.51080.3730.076-0.4904-0.647-0.0027-0.012-0.0127-0.0010.10750.152147.95072.668316.7196
5628.1953-1.1062-10.95715.52243.10025.5595-0.1991-0.7354-1.93030.2624-0.0692-0.21660.35980.2760.26840.0646-0.0116-0.09890.02850.20820.179957.0327-1.663120.0238
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA1 - 101 - 10
2X-RAY DIFFRACTION2AA11 - 2911 - 29
3X-RAY DIFFRACTION3AA30 - 3630 - 36
4X-RAY DIFFRACTION4AA37 - 4437 - 44
5X-RAY DIFFRACTION5AA45 - 5145 - 51
6X-RAY DIFFRACTION6AA52 - 6452 - 64
7X-RAY DIFFRACTION7AA65 - 7065 - 70
8X-RAY DIFFRACTION8AA71 - 8071 - 80
9X-RAY DIFFRACTION9AA81 - 8581 - 85
10X-RAY DIFFRACTION10AA86 - 9586 - 95
11X-RAY DIFFRACTION11AA96 - 10296 - 102
12X-RAY DIFFRACTION12AA103 - 114103 - 114
13X-RAY DIFFRACTION13AA115 - 122115 - 122
14X-RAY DIFFRACTION14AA123 - 132123 - 132
15X-RAY DIFFRACTION15BB10 - 2910 - 29
16X-RAY DIFFRACTION16BB30 - 3830 - 38
17X-RAY DIFFRACTION17BB39 - 4639 - 46
18X-RAY DIFFRACTION18BB47 - 5347 - 53
19X-RAY DIFFRACTION19BB54 - 6454 - 64
20X-RAY DIFFRACTION20BB65 - 7065 - 70
21X-RAY DIFFRACTION21BB71 - 7671 - 76
22X-RAY DIFFRACTION22BB77 - 8177 - 81
23X-RAY DIFFRACTION23BB82 - 8682 - 86
24X-RAY DIFFRACTION24BB87 - 9587 - 95
25X-RAY DIFFRACTION25BB96 - 10296 - 102
26X-RAY DIFFRACTION26BB103 - 114103 - 114
27X-RAY DIFFRACTION27BB115 - 122115 - 122
28X-RAY DIFFRACTION28BB123 - 131123 - 131
29X-RAY DIFFRACTION29CC10 - 1710 - 17
30X-RAY DIFFRACTION30CC18 - 2918 - 29
31X-RAY DIFFRACTION31CC30 - 3630 - 36
32X-RAY DIFFRACTION32CC37 - 4237 - 42
33X-RAY DIFFRACTION33CC43 - 5143 - 51
34X-RAY DIFFRACTION34CC52 - 6252 - 62
35X-RAY DIFFRACTION35CC63 - 6863 - 68
36X-RAY DIFFRACTION36CC69 - 7969 - 79
37X-RAY DIFFRACTION37CC80 - 8480 - 84
38X-RAY DIFFRACTION38CC85 - 9485 - 94
39X-RAY DIFFRACTION39CC95 - 10495 - 104
40X-RAY DIFFRACTION40CC105 - 117105 - 117
41X-RAY DIFFRACTION41CC118 - 123118 - 123
42X-RAY DIFFRACTION42CC124 - 133124 - 133
43X-RAY DIFFRACTION43DD11 - 2411 - 24
44X-RAY DIFFRACTION44DD25 - 3425 - 34
45X-RAY DIFFRACTION45DD35 - 4235 - 42
46X-RAY DIFFRACTION46DD43 - 4843 - 48
47X-RAY DIFFRACTION47DD49 - 5449 - 54
48X-RAY DIFFRACTION48DD55 - 6355 - 63
49X-RAY DIFFRACTION49DD64 - 6964 - 69
50X-RAY DIFFRACTION50DD70 - 7770 - 77
51X-RAY DIFFRACTION51DD78 - 8278 - 82
52X-RAY DIFFRACTION52DD83 - 9483 - 94
53X-RAY DIFFRACTION53DD95 - 10595 - 105
54X-RAY DIFFRACTION54DD106 - 117106 - 117
55X-RAY DIFFRACTION55DD118 - 123118 - 123
56X-RAY DIFFRACTION56DD124 - 133124 - 133

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