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- PDB-4fw7: Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROX... -

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Basic information

Entry
Database: PDB / ID: 4fw7
TitleCrystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
ComponentsUDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex
Function / homology
Function and homology information


UDP-3-O-acyl-N-acetylglucosamine deacetylase / UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity / UDP-3-O-acyl-N-acetylglucosamine deacetylase activity / lipid A biosynthetic process / metal ion binding
Similarity search - Function
lpxc deacetylase, domain 1 / lpxc deacetylase, domain 2 / lpxc deacetylase, domain 1 / UDP-3-O-acyl N-acetylglucosamine deacetylase / UDP-3-O-acyl N-acetylglucosamine deacetylase, C-terminal / UDP-3-O-acyl N-acetylglucosamine deacetylase, N-terminal / UDP-3-O-acyl N-acetylglycosamine deacetylase / Ribosomal Protein S5; domain 2 / Ribosomal protein S5 domain 2-type fold / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / Chem-L63 / UDP-3-O-acyl-N-acetylglucosamine deacetylase
Similarity search - Component
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å
AuthorsKang, Y.N. / Stuckey, J.A.
CitationJournal: to be published
Title: Crystal Structure of the LpxC
Authors: Kang, Y.N. / Stuckey, J.A.
History
DepositionJun 30, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 15, 2013Provider: repository / Type: Initial release
Revision 1.1Nov 15, 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 1.2Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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_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_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_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: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
B: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
C: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
D: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)137,17336
Polymers133,6764
Non-polymers3,49832
Water13,169731
1
A: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,2859
Polymers33,4191
Non-polymers8668
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,52812
Polymers33,4191
Non-polymers1,10911
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,3189
Polymers33,4191
Non-polymers8998
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,0426
Polymers33,4191
Non-polymers6235
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)35.583, 89.475, 169.067
Angle α, β, γ (deg.)90.000, 90.020, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase / Protein envA / UDP-3-O-acyl-GlcNAc deacetylase


Mass: 33418.875 Da / Num. of mol.: 4 / Mutation: C43S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228 / Gene: envA, lpxC, PA4406 / Plasmid: pMOCR / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 AI
References: UniProt: P47205, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides

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Non-polymers , 5 types, 763 molecules

#2: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#3: Chemical
ChemComp-L63 / N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide


Mass: 314.336 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C17H18N2O4
#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical
ChemComp-ACT / ACETATE ION / Acetate


Mass: 59.044 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H3O2
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 731 / 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: 2.01 Å3/Da / Density % sol: 38.91 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 4.9
Details: 24-30% PEG8000, 0.2M Sodium Acetate, 0.1M Sodium acetate pH 4.9, vapor diffusion, sitting drop, temperature 293.15K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Mar 16, 2011
RadiationMonochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 1.7→50 Å / Num. obs: 111775 / % possible obs: 96 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.051 / Χ2: 1.119 / Net I/σ(I): 9.2
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
1.7-1.733.60.39154510.859195.2
1.73-1.763.60.33654850.863194.5
1.76-1.793.60.27154880.87194.5
1.79-1.833.60.24255010.915195.5
1.83-1.873.60.21455640.925193.8
1.87-1.913.60.18154210.948195.6
1.91-1.963.70.14855720.975194.5
1.96-2.023.70.12854271.016194.9
2.02-2.073.70.10555451.063194.9
2.07-2.143.70.09654971.096195.1
2.14-2.223.70.08855771.133194.9
2.22-2.313.70.08154921.153196
2.31-2.413.70.06955921.148195.6
2.41-2.543.70.06857001.227196.7
2.54-2.73.70.0655971.212197.3
2.7-2.913.70.05557111.357197.7
2.91-3.23.70.04757391.431198.1
3.2-3.663.70.03857561.448198.8
3.66-4.613.80.03257831.371198.7
4.61-503.80.02958771.239198.4

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
BUSTER-TNTBUSTER 2.11.1refinement
PDB_EXTRACT3.11data extraction
MD2data collection
HKL-2000data reduction
PHASERphasing
BUSTER2.11.1refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.7→38.22 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.9507 / Occupancy max: 1 / Occupancy min: 0.2 / SU R Cruickshank DPI: 0.11 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.1919 5616 5.03 %RANDOM
Rwork0.1628 ---
obs0.1642 111698 96.02 %-
Displacement parametersBiso max: 100.06 Å2 / Biso mean: 25.8687 Å2 / Biso min: 6.34 Å2
Baniso -1Baniso -2Baniso -3
1-0.4605 Å20 Å2-0.0653 Å2
2--1.0105 Å20 Å2
3----1.471 Å2
Refine analyzeLuzzati coordinate error obs: 0.181 Å
Refinement stepCycle: LAST / Resolution: 1.7→38.22 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9322 0 226 731 10279
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d4865SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes267HARMONIC2
X-RAY DIFFRACTIONt_gen_planes1652HARMONIC5
X-RAY DIFFRACTIONt_it10157HARMONIC20
X-RAY DIFFRACTIONt_nbd0SEMIHARMONIC5
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion1332SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance16HARMONIC1
X-RAY DIFFRACTIONt_utility_angle24HARMONIC1
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact12681SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d10157HARMONIC20.01
X-RAY DIFFRACTIONt_angle_deg13863HARMONIC21.04
X-RAY DIFFRACTIONt_omega_torsion3.84
X-RAY DIFFRACTIONt_other_torsion2.61
LS refinement shellResolution: 1.7→1.74 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2555 355 4.4 %
Rwork0.1914 7711 -
all0.1941 8066 -
obs--96.02 %
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)
10.10980.338-0.18550.50520.26930.7964-0.0144-0.1074-0.1136-0.01970.0297-0.06870.06120.0025-0.01530.01640.0292-0.0273-0.029-0.0114-0.000622.18924.760934.1004
21.0235-0.1836-0.15560.96631.08361.36250.0055-0.0947-0.00550.0846-0.01260.05880.0593-0.01980.0071-0.0056-0.01970.0011-0.00130.0281-0.022810.53629.882439.4163
30.11790.4341-0.00100.16380.2586-0.0017-0.0079-0.00150.0087-0.00290.01450.006-0.01520.0046-0.0046-0.04220.04630.07340.0103-0.0638.682111.756741.9584
40.58010.08090.08960.1091-0.00460.09950.0221-0.0589-0.06970.08750.0301-0.08920.07880.0137-0.05220.00830.0059-0.0158-0.00710.0056-0.001322.85329.457531.4017
50.50.36880.2350.49630.59760.6848-0.01190.0323-0.035-0.03490.0175-0.00690.01140.0056-0.00570.0521-0.0444-0.0266-0.06290.01640.00410.33051.507616.8479
60.3847-0.63210.03210.1565-0.030.15040.00660.00930.0207-0.00930.00950.02450.0148-0.0009-0.016-0.0267-0.0113-0.0043-0.0552-0.00610.07842.11523.897519.4439
70.74630.18330.34340.8127-0.11541.22590.00880.09910.1222-0.0852-0.0187-0.01070.02060.10910.0098-0.0232-0.01030.0058-0.0284-0.00140.004418.580823.5217.9041
80.4553-1.0821-0.82661.30021.11951.97110.0167-0.06270.08040.1055-0.0065-0.041-0.05630.0038-0.0103-0.0175-0.0358-0.0056-0.0237-0.00720.022623.016732.86834.2225
90.98830.1950.22570.9465-0.36411.150.0267-0.0442-0.0079-0.12970.03520.11880.1691-0.0453-0.0619-0.0088-0.0141-0.0245-0.02630.0036-0.00959.477415.692321.5107
100.3687-0.8142-0.51330.51030.22840.0750.00220.00690.0043-0.0134-0.0035-0.01150.03640.01230.00140.0021-0.0423-0.021-0.0059-0.03090.004419.3901-0.438712.381
110.1448-0.41740.14670.67230.12570.6645-0.01910.06720.09640.02190.0294-0.0884-0.0626-0.0012-0.01030.016-0.02620.0274-0.0298-0.0153-0.000222.2875-17.31650.8123
120.5039-0.11830.4920.33130.49570.54520.00290.03960.0163-0.0785-0.01060.0627-0.055-0.01640.00770.01790.01570.01230.01120.0304-0.030210.6172-19.910644.0334
131.0543-0.1749-0.42340.920.11590.86530.03580.13690.0441-0.13870.0232-0.0357-0.1383-0.0434-0.059-0.00620.00470.0053-0.01390.0106-0.02819.5273-23.674251.115
140.239-0.2646-0.34160.38370.41290.6742-0.0188-0.04380.02580.04450.02890.0016-0.02280.0117-0.010.06180.04210.0281-0.06120.01170.000811.0791-13.886167.6278
150.35010.4716-0.07490.1996-0.04550.09320.0062-0.0051-0.0120.00010.00960.014-0.01160.0016-0.0157-0.03690.01010.0064-0.0606-0.00480.09411.6404-37.14264.6514
160.6017-0.4234-0.27650.6599-0.12620.94060.0086-0.0972-0.12050.121-0.0194-0.0287-0.04390.12970.0107-0.0170.0083-0.0004-0.0288-0.00810.013118.2895-35.941367.0662
170.2540.49060.56340.76590.39420.3502-0.00210.00540.0234-0.01110.00960.0306-0.0073-0.0042-0.00750.00460.0152-0.0072-0.0109-0.01810.010316.6963-47.682845.0665
180.0220.69330.51850.2950.42321.0490.02170.0347-0.0501-0.04650.0089-0.04650.03840.0248-0.0306-0.00470.03780.0078-0.0206-0.01080.036426.9255-46.036451.7475
190.8547-0.0917-0.30210.8244-0.44360.83980.01520.0542-0.04850.09290.02250.0634-0.1082-0.0087-0.0378-0.01210.00970.016-0.015-0.004-0.014412.5308-30.977362.3137
200.21351.63450.07330.76340.15850.2026-0.0058-0.02610.00640.04060.01420.0073-0.03650.0399-0.00840.02210.05270.055-0.0318-0.00030.019913.2281-14.001970.8213
210.519-0.0552-0.0880.62230.21461.3399-0.05190.00390.05470.0067-0.04680.01080.05630.07990.0987-0.01950.040.0322-0.03620.0114-0.000437.991715.363758.9514
221.69530.8470.46851.73610.17320.20810.02260.0626-0.0479-0.0249-0.0299-0.01570.0784-0.07470.0073-0.0176-0.0060.02070.0079-0.0229-0.032426.24297.296559.946
23-0.00020.15790.2780.22820.01570.0002-0.00570.0179-0.01790.00370.00810.01850.0134-0.0162-0.00240.0457-0.06210.0209-0.0052-0.0655-0.026126.25182.673460.8958
240.9731-0.1877-0.63970.0634-0.01453.0488-0.0041-0.04790.0062-0.0627-0.1006-0.01330.05880.06790.1048-0.01240.03380.029-0.01920.0123-0.01438.68513.615664.3564
250.448-0.6648-0.06391.02820.62460.3454-0.0219-0.00780.03930.02760.01540.0107-0.0583-0.00880.00650.05150.095-0.0041-0.02850.0078-0.029925.871929.695266.8397
260.21010.6449-0.28070.0026-0.46440.01860.0082-0.0398-0.01080.00430.0089-0.00120.0039-0.0317-0.0171-0.05440.05550.02270.10590.0634-0.047817.924214.76582.3933
270.7271-0.3294-0.1280.16890.65883.339-0.0282-0.14220.00840.0735-0.02230.0555-0.03220.14190.0504-0.068-0.00340.031-0.02330.0331-0.017934.392313.429483.533
280.05870.3246-0.42320.9929-0.96220.0314-0.00040.0027-0.01820.0061-0.0022-0.00190.0644-0.02120.00260.04860.11430.0709-0.00970.0925-0.039836.4884-4.991478.4453
290.78830.1798-0.17450.4567-0.38412.667-0.0012-0.0677-0.01280.0405-0.00380.0162-0.1121-0.06190.0049-0.05050.01830.0228-0.0196-0.0081-0.043728.462615.112977.0098
300.02780.30770.33260.2981-0.49810.3393-0.003-0.0197-0.00740.0042-0.0014-0.0057-0.02870.00450.00440.01690.0950.0052-0.0269-0.00650.022733.617534.532267.4841
310.60750.11250.15230.5620.28051.1552-0.054-0.0252-0.0434-0.0035-0.05350.0172-0.05770.06820.1075-0.0103-0.0405-0.0258-0.0360.0132-0.004937.935-28.289125.7239
321.928-0.747-0.80671.72340.76210.27560.0136-0.07190.03650.0252-0.0206-0.0196-0.0813-0.05790.0069-0.01120.0004-0.02340.0008-0.0168-0.034526.5996-19.937324.741
330.00030.0856-0.39430.03710.3227-0.0003-0.0079-0.02190.02220.00310.00210.0244-0.0207-0.01930.00580.04690.0718-0.0236-0.0051-0.0544-0.028225.3487-16.133624.3515
340.84010.17290.45780.072-0.26332.2841-0.00190.0304-0.03110.0671-0.0881-0.0245-0.00180.09330.09-0.0183-0.0285-0.0209-0.01580.0105-0.012738.3889-28.1220.8987
351.0589-0.9971-0.33260.2866-0.81760.07530.01280.17980.01550.0506-0.01070.01840.0829-0.1408-0.00220.0052-0.098-0.04310.03560.0219-0.034719.8268-34.26747.2768
360.86090.22980.44420.13780.83873.279-0.03260.126-0.0076-0.0724-0.02890.030.06910.14580.0615-0.05910.007-0.0205-0.02350.0278-0.023434.4749-27.46480.6246
370.0042-0.15970.03980.08520.07760.0331-0.00290.00410.00610.00130.00530.001-0.00210.0043-0.00240.04160.006-0.0187-0.01240.048-0.015230.9328-4.31958.3552
380.17790.44720.18820.9989-0.92690.12040.00750.00620.0037-0.0019-0.0102-0.0076-0.0251-0.00860.00270.043-0.1379-0.0578-0.00230.1109-0.035240.7844-10.02253.2399
390.8777-0.11250.11580.4464-0.35992.6902-0.00020.06990.0074-0.0287-0.01020.00540.1064-0.06460.0104-0.0502-0.0161-0.0194-0.0184-0.0068-0.04628.7045-27.94647.4661
400.0105-0.3281-0.23610.4606-0.41620.1828-0.00380.01910.01560.0074-0.0046-0.01210.04190.01520.00840.0256-0.0895-0.001-0.0386-0.01820.023733.5819-47.434917.2422
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{A|0 - 38}A0 - 38
2X-RAY DIFFRACTION2{A|39 - 65}A39 - 65
3X-RAY DIFFRACTION3{A|66 - 74}A66 - 74
4X-RAY DIFFRACTION4{A|75 - 120}A75 - 120
5X-RAY DIFFRACTION5{A|121 - 134}A121 - 134
6X-RAY DIFFRACTION6{A|135 - 145}A135 - 145
7X-RAY DIFFRACTION7{A|146 - 193}A146 - 193
8X-RAY DIFFRACTION8{A|194 - 231}A194 - 231
9X-RAY DIFFRACTION9{A|232 - 283}A232 - 283
10X-RAY DIFFRACTION10{A|284 - 299}A284 - 299
11X-RAY DIFFRACTION11{B|-1 - 38}B-1 - 38
12X-RAY DIFFRACTION12{B|39 - 59}B39 - 59
13X-RAY DIFFRACTION13{B|60 - 120}B60 - 120
14X-RAY DIFFRACTION14{B|121 - 134}B121 - 134
15X-RAY DIFFRACTION15{B|135 - 144}B135 - 144
16X-RAY DIFFRACTION16{B|145 - 191}B145 - 191
17X-RAY DIFFRACTION17{B|192 - 205}B192 - 205
18X-RAY DIFFRACTION18{B|206 - 227}B206 - 227
19X-RAY DIFFRACTION19{B|228 - 276}B228 - 276
20X-RAY DIFFRACTION20{B|277 - 299}B277 - 299
21X-RAY DIFFRACTION21{C|-2 - 37}C-2 - 37
22X-RAY DIFFRACTION22{C|38 - 67}C38 - 67
23X-RAY DIFFRACTION23{C|68 - 75}C68 - 75
24X-RAY DIFFRACTION24{C|76 - 120}C76 - 120
25X-RAY DIFFRACTION25{C|121 - 134}C121 - 134
26X-RAY DIFFRACTION26{C|135 - 146}C135 - 146
27X-RAY DIFFRACTION27{C|147 - 197}C147 - 197
28X-RAY DIFFRACTION28{C|198 - 221}C198 - 221
29X-RAY DIFFRACTION29{C|222 - 282}C222 - 282
30X-RAY DIFFRACTION30{C|283 - 299}C283 - 299
31X-RAY DIFFRACTION31{D|-2 - 37}D-2 - 37
32X-RAY DIFFRACTION32{D|38 - 66}D38 - 66
33X-RAY DIFFRACTION33{D|67 - 75}D67 - 75
34X-RAY DIFFRACTION34{D|76 - 125}D76 - 125
35X-RAY DIFFRACTION35{D|126 - 146}D126 - 146
36X-RAY DIFFRACTION36{D|147 - 193}D147 - 193
37X-RAY DIFFRACTION37{D|194 - 206}D194 - 206
38X-RAY DIFFRACTION38{D|207 - 221}D207 - 221
39X-RAY DIFFRACTION39{D|222 - 282}D222 - 282
40X-RAY DIFFRACTION40{D|283 - 299}D283 - 299

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