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- PDB-7a0j: Crystal structure of the CRINKLY WD40 ectodomain from the Arabido... -

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Basic information

Entry
Database: PDB / ID: 7a0j
TitleCrystal structure of the CRINKLY WD40 ectodomain from the Arabidopsis thaliana receptor kinase ACR4
ComponentsSerine/threonine-protein kinase-like protein ACR4
KeywordsSIGNALING PROTEIN / WD40 domain / plant membrane receptor kinase / disulfide bond / ligand binding
Function / homology
Function and homology information


flower morphogenesis / root cap development / plant epidermal cell differentiation / transmembrane receptor protein kinase activity / lateral root formation / regulation of asymmetric cell division / protein serine/threonine kinase activity => GO:0004674 / root development / embryo development ending in seed dormancy / multivesicular body membrane ...flower morphogenesis / root cap development / plant epidermal cell differentiation / transmembrane receptor protein kinase activity / lateral root formation / regulation of asymmetric cell division / protein serine/threonine kinase activity => GO:0004674 / root development / embryo development ending in seed dormancy / multivesicular body membrane / endocytic vesicle / protein autophosphorylation / membrane => GO:0016020 / non-specific serine/threonine protein kinase / protein serine kinase activity / cell surface / protein homodimerization activity / ATP binding / plasma membrane
Similarity search - Function
Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / TNFR/NGFR family cysteine-rich region domain profile. / Tumor necrosis factor receptor / nerve growth factor receptor repeats. / TNFR/NGFR cysteine-rich region / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. ...Regulator of chromosome condensation 1/beta-lactamase-inhibitor protein II / TNFR/NGFR family cysteine-rich region domain profile. / Tumor necrosis factor receptor / nerve growth factor receptor repeats. / TNFR/NGFR cysteine-rich region / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
Serine/threonine-protein kinase-like protein ACR4
Similarity search - Component
Biological speciesArabidopsis thaliana (thale cress)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.95 Å
AuthorsHothorn, M. / Okuda, S.
Funding support Switzerland, 2items
OrganizationGrant numberCountry
Swiss National Science Foundation31003A_176237 Switzerland
Swiss National Science Foundation31CP30_180213 Switzerland
CitationJournal: To Be Published
Title: Crystal structures of Arabidopsis and Physcomitrella CR4 reveal the molecular architecture of CRINKLY4 receptor kinases.
Authors: Okuda, S. / Hothorn, L.A. / Hothorn, M.
History
DepositionAug 9, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 18, 2021Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
AAA: Serine/threonine-protein kinase-like protein ACR4
BBB: Serine/threonine-protein kinase-like protein ACR4
CCC: Serine/threonine-protein kinase-like protein ACR4
DDD: Serine/threonine-protein kinase-like protein ACR4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)136,40818
Polymers134,7704
Non-polymers1,63914
Water4,864270
1
AAA: Serine/threonine-protein kinase-like protein ACR4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,8173
Polymers33,6921
Non-polymers1242
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
BBB: Serine/threonine-protein kinase-like protein ACR4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,0602
Polymers33,6921
Non-polymers3671
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
CCC: Serine/threonine-protein kinase-like protein ACR4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,55610
Polymers33,6921
Non-polymers8649
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
DDD: Serine/threonine-protein kinase-like protein ACR4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,9763
Polymers33,6921
Non-polymers2832
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)74.991, 87.952, 88.618
Angle α, β, γ (deg.)90.000, 90.097, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Serine/threonine-protein kinase-like protein ACR4 / Protein CRINKLY 4 / AtCR4


Mass: 33692.438 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: ACR4, At3g59420, F25L23.280 / Organ: seedling / Plasmid: pFastBac / Production host: Trichoplusia ni (cabbage looper) / Variant (production host): Tnao38
References: UniProt: Q9LX29, non-specific serine/threonine protein kinase
#2: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#3: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C2H6O2
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 270 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.17 Å3/Da / Density % sol: 43.28 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 / Details: 16 % PEG 6,000, 0.01 M tri-sodium citrate pH 5.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 0.99187 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Dec 19, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.99187 Å / Relative weight: 1
ReflectionResolution: 1.95→48.05 Å / Num. obs: 83857 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Redundancy: 6.8 % / Biso Wilson estimate: 40.2 Å2 / CC1/2: 1 / Rrim(I) all: 0.125 / Rsym value: 0.119 / Net I/σ(I): 8.75
Reflection shellResolution: 1.95→2.07 Å / Redundancy: 6.2 % / Mean I/σ(I) obs: 0.91 / Num. unique obs: 13541 / CC1/2: 0.39 / Rrim(I) all: 1.94 / Rsym value: 2.08 / % possible all: 98.3

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Processing

Software
NameVersionClassification
REFMAC5.8.0258refinement
XDSdata reduction
XSCALEdata scaling
autoSHARPphasing
RefinementMethod to determine structure: MAD / Resolution: 1.95→48.05 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.945 / SU B: 12.245 / SU ML: 0.159 / Cross valid method: FREE R-VALUE / ESU R: 0.185 / ESU R Free: 0.153
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflection
Rfree0.2391 4029 4.808 %
Rwork0.22 79774 -
all0.221 --
obs-83803 99.856 %
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parametersBiso mean: 48.462 Å2
Baniso -1Baniso -2Baniso -3
1--1.201 Å20 Å20.754 Å2
2--1.64 Å20 Å2
3----0.441 Å2
Refinement stepCycle: LAST / Resolution: 1.95→48.05 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7918 0 106 270 8294
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0020.0138330
X-RAY DIFFRACTIONr_bond_other_d0.0010.0177328
X-RAY DIFFRACTIONr_angle_refined_deg1.1871.63511313
X-RAY DIFFRACTIONr_angle_other_deg1.1021.5817018
X-RAY DIFFRACTIONr_dihedral_angle_1_deg12.8345.2371119
X-RAY DIFFRACTIONr_dihedral_angle_2_deg25.38823.01299
X-RAY DIFFRACTIONr_dihedral_angle_3_deg11.841151163
X-RAY DIFFRACTIONr_dihedral_angle_other_3_deg18.168152
X-RAY DIFFRACTIONr_dihedral_angle_4_deg12.0761515
X-RAY DIFFRACTIONr_chiral_restr0.0330.21051
X-RAY DIFFRACTIONr_gen_planes_refined0.0020.0210347
X-RAY DIFFRACTIONr_gen_planes_other0.0010.021763
X-RAY DIFFRACTIONr_nbd_refined0.1480.21276
X-RAY DIFFRACTIONr_symmetry_nbd_other0.1540.26843
X-RAY DIFFRACTIONr_nbtor_refined0.1560.23857
X-RAY DIFFRACTIONr_symmetry_nbtor_other0.070.23512
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1030.2378
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.0820.225
X-RAY DIFFRACTIONr_nbd_other0.1180.297
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.0890.231
X-RAY DIFFRACTIONr_mcbond_it0.3292.7834371
X-RAY DIFFRACTIONr_mcbond_other0.3292.7834370
X-RAY DIFFRACTIONr_mcangle_it0.64.1695443
X-RAY DIFFRACTIONr_mcangle_other0.64.175444
X-RAY DIFFRACTIONr_scbond_it0.3932.8833959
X-RAY DIFFRACTIONr_scbond_other0.3932.8833960
X-RAY DIFFRACTIONr_scangle_it0.7074.2955859
X-RAY DIFFRACTIONr_scangle_other0.7074.2955860
X-RAY DIFFRACTIONr_lrange_it3.84332.6748676
X-RAY DIFFRACTIONr_lrange_other3.75632.3898616
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.95-2.0010.3843070.3785840X-RAY DIFFRACTION99.4338
2.001-2.0560.3342770.3385743X-RAY DIFFRACTION99.917
2.056-2.1150.3273200.3065531X-RAY DIFFRACTION99.9658
2.115-2.180.2692600.2815416X-RAY DIFFRACTION99.8944
2.18-2.2520.2712000.2585297X-RAY DIFFRACTION99.9636
2.252-2.3310.2742570.2415064X-RAY DIFFRACTION99.8499
2.331-2.4190.2752620.2464923X-RAY DIFFRACTION99.9229
2.419-2.5170.2662990.2454670X-RAY DIFFRACTION99.9397
2.517-2.6290.2632700.2344463X-RAY DIFFRACTION99.9578
2.629-2.7570.2352220.2114331X-RAY DIFFRACTION99.9342
2.757-2.9060.2331660.2034182X-RAY DIFFRACTION99.954
2.906-3.0820.2242040.2063849X-RAY DIFFRACTION99.8522
3.082-3.2950.2231990.1973709X-RAY DIFFRACTION99.9233
3.295-3.5580.2321330.2053455X-RAY DIFFRACTION99.9721
3.558-3.8970.2141500.1963154X-RAY DIFFRACTION99.9093
3.897-4.3560.1861190.1782862X-RAY DIFFRACTION99.8995
4.356-5.0280.2151360.182544X-RAY DIFFRACTION99.851
5.028-6.1530.2521020.2332122X-RAY DIFFRACTION99.6416
6.153-8.6810.237990.2311660X-RAY DIFFRACTION99.9432
8.681-48.050.239470.262959X-RAY DIFFRACTION99.5054
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)
15.0769-1.16370.09111.9802-0.68634.55740.0407-0.00780.25260.22660.0434-0.0605-0.19340.1044-0.08420.0746-0.0067-0.04820.00670.00960.0832-40.02270.5057-7.2078
26.1323-1.0254-3.04941.829-1.11633.3513-0.2074-0.1657-0.41830.12450.21870.220.2807-0.2556-0.01130.3564-0.0939-0.05540.19480.09690.1193-45.1111-8.20711.0487
39.02790.82233.41651.0705-0.12695.9493-0.0833-0.34330.12220.22780.1661-0.06980.04150.1103-0.08280.28450.0489-0.01590.16870.07410.2099-38.9891-10.44198.0993
44.6035-1.754-3.07192.644-0.37635.9055-0.2879-0.3833-0.91460.47180.21960.18130.7548-0.09480.06840.41980.0332-0.16060.19460.17920.3838-33.0131-17.59124.3401
53.30790.598-0.92333.7564-1.7134.20040.02490.0996-0.39670.1123-0.1045-0.53950.30540.60810.07960.1860.0963-0.12120.1424-0.00390.2893-20.0841-13.7402-6.616
68.2272.1347-0.14553.5055-4.15275.8336-0.2410.66820.3247-0.1304-0.0147-0.24210.0210.32670.25570.1728-0.00730.1220.2585-0.13480.4415-26.1645-1.8228-16.7171
75.37151.1997-0.40422.0441-0.18514.84070.00560.06340.32720.0421-0.04470.1197-0.2263-0.20120.0390.04680.046-0.04520.1518-0.02160.082211.67539.1107-39.6714
89.46140.55510.70093.34232.57812.0942-0.05090.5021-0.1144-0.1360.0873-0.1193-0.0280.1015-0.03640.2147-0.0007-0.0230.31290.02210.078218.32829.8716-52.918
95.57740.2770.39913.1472-1.80227.3338-0.2130.77460.0308-0.59160.1474-0.03750.0401-0.29520.06550.1783-0.0229-0.0130.3349-0.06180.122212.32383.5102-54.7384
106.74420.41840.70414.6074-1.44986.449-0.09480.9956-0.1929-0.85120.07960.06160.3228-0.330.01530.2887-0.0483-0.01970.4953-0.12710.13714.45650.8645-58.6584
113.86513.7256-3.60673.9102-2.5226.5028-0.23950.167-0.4575-0.2263-0.0411-0.37970.4858-0.51150.28060.5948-0.1034-0.13960.8329-0.35880.53580.7719-9.2421-57.3078
128.541-1.28960.3344.762-0.03525.54420.050.3592-0.9629-0.1731-0.07550.66390.3186-0.51150.02550.2391-0.1811-0.06280.5365-0.17420.3619-7.806-5.0477-49.8808
136.581-2.8631-1.3695.34061.94653.8165-0.26650.2662-0.5350.2630.02620.3650.1472-0.66280.24040.1212-0.114-0.00590.434-0.04630.2822-8.2218-1.3563-41.0983
140.4590.3391-0.96260.418-1.47275.49630.1348-0.0688-0.00190.08460.02930.0372-0.1598-0.2618-0.16410.314-0.06350.01460.29580.00060.3513-6.7355-8.0044-36.7067
1511.3847-4.7438-5.29264.16573.3615.9835-0.3036-0.04860.05950.29550.22180.1786-0.1535-0.19150.08180.1098-0.0257-0.03210.3773-0.00630.1945-2.69284.1146-35.0452
167.2569-0.7691-0.403911.01652.70914.6048-0.3175-0.13030.06190.51530.40280.16560.16440.0137-0.08530.2105-0.02690.02940.47330.02290.18090.1041-0.0657-31.4578
174.672-0.4226-0.37362.4405-0.72883.3437-0.03090.1618-0.4248-0.0413-0.02950.12060.3953-0.09310.06040.0754-0.0264-0.01820.0308-0.01990.087512.9161-0.6946-10.3198
187.1379-1.48-0.05311.28340.08123.3910.0291-0.4801-0.18540.3396-0.04250.00720.29980.16950.01330.2268-0.01240.01890.13150.04550.095416.0846-2.38273.8287
196.3223-1.37660.9931.72170.22572.7649-0.1467-0.56470.21650.35420.0180.3-0.133-0.43740.12870.1814-0.04930.04750.2267-0.08970.15760.616410.58313.2481
201.3324-1.43881.17492.68080.5525.9441-0.00740.17070.3118-0.2069-0.1460.0935-0.445-0.1730.15330.04840.0239-0.06320.24820.13940.613-4.435114.2786-13.805
215.1145-0.2362-0.16541.27660.12576.0193-0.14020.5282-0.1625-0.2476-0.02160.39470.375-0.38810.16170.082-0.0282-0.06740.1875-0.01520.18051.53317.1322-19.7427
223.26044.6157-2.17819.5301-2.73131.5072-0.34270.0632-0.07940.24520.30830.16670.3253-0.03120.03440.3103-0.0084-0.00190.2949-0.00540.32925.8157-2.3911-25.4901
234.18450.65821.02772.1722-0.45995.5537-0.05680.6364-0.0956-0.27870.0892-0.10080.04090.1934-0.03240.0486-0.0112-0.01910.15330.03740.1185-41.462210.0304-41.7738
246.0582.54773.4165.36380.41184.6694-0.09371.50271.1742-0.38270.1173-0.0569-0.83160.6051-0.02360.5332-0.07730.15480.80150.61290.6863-32.299123.3512-48.208
251.24151.56491.13061.97671.4221.048-0.0871-0.20960.3385-0.126-0.22060.42450.0309-0.20030.30770.6682-0.00580.03170.5880.07130.5656-25.582831.7481-42.6805
267.516-1.89751.57935.0931-1.11234.0542-0.13420.05440.6808-0.13290.2185-0.3721-0.49950.7052-0.08430.179-0.1275-0.0130.25990.07680.2718-21.6521.2858-36.2444
276.26160.6509-0.14462.7085-3.12034.7882-0.0019-0.5328-0.00220.3191-0.1226-0.3458-0.06510.56840.12460.15990.0673-0.12440.3462-0.06110.2162-25.021611.8846-27.1112
287.52743.68210.25184.3239-4.06036.9462-0.08060.1716-0.3639-0.02470.0748-0.187-0.02690.03280.00580.0220.0381-0.02140.14230.02530.1578-34.96717.2867-22.2576
Refinement TLS group
IDRefine-IDRefine TLS-IDSelectionAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1ALLAAA30 - 104
2X-RAY DIFFRACTION2ALLAAA105 - 130
3X-RAY DIFFRACTION3ALLAAA131 - 158
4X-RAY DIFFRACTION4ALLAAA159 - 202
5X-RAY DIFFRACTION5ALLAAA203 - 286
6X-RAY DIFFRACTION6ALLAAA287 - 328
7X-RAY DIFFRACTION7ALLBBB30 - 105
8X-RAY DIFFRACTION8ALLBBB106 - 122
9X-RAY DIFFRACTION9ALLBBB123 - 160
10X-RAY DIFFRACTION10ALLBBB161 - 188
11X-RAY DIFFRACTION11ALLBBB189 - 208
12X-RAY DIFFRACTION12ALLBBB209 - 260
13X-RAY DIFFRACTION13ALLBBB261 - 284
14X-RAY DIFFRACTION14ALLBBB285 - 297
15X-RAY DIFFRACTION15ALLBBB298 - 318
16X-RAY DIFFRACTION16ALLBBB319 - 331
17X-RAY DIFFRACTION17ALLCCC30 - 105
18X-RAY DIFFRACTION18ALLCCC106 - 123
19X-RAY DIFFRACTION19ALLCCC124 - 260
20X-RAY DIFFRACTION20ALLCCC261 - 295
21X-RAY DIFFRACTION21ALLCCC296 - 333
22X-RAY DIFFRACTION22ALLCCC334 - 338
23X-RAY DIFFRACTION23ALLDDD30 - 156
24X-RAY DIFFRACTION24ALLDDD157 - 192
25X-RAY DIFFRACTION25ALLDDD193 - 208
26X-RAY DIFFRACTION26ALLDDD209 - 269
27X-RAY DIFFRACTION27ALLDDD270 - 322
28X-RAY DIFFRACTION28ALLDDD323 - 336

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  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

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Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

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