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- PDB-8oje: Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 in comp... -

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Basic information

Entry
Database: PDB / ID: 8oje
TitleArabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 in complex with L-malate
ComponentsPhosphoenolpyruvate carboxylase 1
KeywordsPLANT PROTEIN / Phosphoenolpyruvate carboxylase / Citric acid cycle / TCA cycle / photosynthesis
Function / homology
Function and homology information


phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / leaf development / carbon fixation / apoplast / cellular response to phosphate starvation / photosynthesis / tricarboxylic acid cycle / chloroplast / protein tetramerization ...phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / leaf development / carbon fixation / apoplast / cellular response to phosphate starvation / photosynthesis / tricarboxylic acid cycle / chloroplast / protein tetramerization / nucleus / cytosol
Similarity search - Function
Phosphoenolpyruvate carboxylase, Lys active site / Phosphoenolpyruvate carboxylase / Phosphoenolpyruvate carboxylase, bacterial/plant-type / Phosphoenolpyruvate carboxylase, His active site / Phosphoenolpyruvate carboxylase / Phosphoenolpyruvate carboxylase active site 2. / Phosphoenolpyruvate carboxylase active site 1. / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
Similarity search - Domain/homology
(2S)-2-hydroxybutanedioic acid / DI(HYDROXYETHYL)ETHER / Phosphoenolpyruvate carboxylase 1
Similarity search - Component
Biological speciesArabidopsis thaliana (thale cress)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.14239899937 Å
AuthorsHaesaerts, S. / Loris, R. / Larsen, P.B.
Funding support United States, Belgium, 2items
OrganizationGrant numberCountry
United States Department of Agriculture (USDA)2021-67014-34888 United States
Research Foundation - Flanders (FWO)G011420N Belgium
CitationJournal: To Be Published
Title: Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
Authors: Meyer, T.J. / Sheng, J. / Haesaerts, S. / Frausto, K. / O'Leary, S. / Loris, R. / Larsen, P.B.
History
DepositionMar 24, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 31, 2023Provider: repository / Type: Initial release
Revision 1.1Nov 1, 2023Group: Data collection / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_struct_assembly_gen / pdbx_struct_oper_list / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phosphoenolpyruvate carboxylase 1
B: Phosphoenolpyruvate carboxylase 1
C: Phosphoenolpyruvate carboxylase 1
D: Phosphoenolpyruvate carboxylase 1
E: Phosphoenolpyruvate carboxylase 1
F: Phosphoenolpyruvate carboxylase 1
G: Phosphoenolpyruvate carboxylase 1
H: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)897,31879
Polymers891,1858
Non-polymers6,13371
Water2,396133
1
A: Phosphoenolpyruvate carboxylase 1
B: Phosphoenolpyruvate carboxylase 1
hetero molecules

E: Phosphoenolpyruvate carboxylase 1
F: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)448,64139
Polymers445,5934
Non-polymers3,04935
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_655-x+1,y+1/2,-z1
2
C: Phosphoenolpyruvate carboxylase 1
D: Phosphoenolpyruvate carboxylase 1
hetero molecules

G: Phosphoenolpyruvate carboxylase 1
H: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)448,67740
Polymers445,5934
Non-polymers3,08436
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_556x,y,z+11
Unit cell
Length a, b, c (Å)116.080, 352.200, 176.040
Angle α, β, γ (deg.)90.000, 101.840, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71
81

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11LEULEULEULEU(chain 'A' and ((resid 6 through 11 and (name N...AA6 - 13913 - 146
12GLUGLUPROPRO(chain 'A' and ((resid 6 through 11 and (name N...AA141 - 154148 - 161
13GLUGLUVALVAL(chain 'A' and ((resid 6 through 11 and (name N...AA156 - 178163 - 185
14ARGARGTHRTHR(chain 'A' and ((resid 6 through 11 and (name N...AA180 - 300187 - 307
15ASPASPGLUGLU(chain 'A' and ((resid 6 through 11 and (name N...AA302 - 320309 - 327
16LEULEUSERSER(chain 'A' and ((resid 6 through 11 and (name N...AA322 - 346329 - 353
17LYSLYSGLNGLN(chain 'A' and ((resid 6 through 11 and (name N...AA352 - 483359 - 490
18TRPTRPILEILE(chain 'A' and ((resid 6 through 11 and (name N...AA485 - 595492 - 602
19SERSERHISHIS(chain 'A' and ((resid 6 through 11 and (name N...AA598 - 635605 - 642
110GLYGLYPROPRO(chain 'A' and ((resid 6 through 11 and (name N...AA638 - 732645 - 739
111PHEPHEMETMET(chain 'A' and ((resid 6 through 11 and (name N...AA734 - 750741 - 757
112ARGARGLEULEU(chain 'A' and ((resid 6 through 11 and (name N...AA755 - 887762 - 894
113LEULEUSERSER(chain 'A' and ((resid 6 through 11 and (name N...AA889 - 922896 - 929
114GLYGLYGLYGLY(chain 'A' and ((resid 6 through 11 and (name N...AA947 - 967954 - 974
215LEULEULEULEU(chain 'B' and ((resid 6 through 11 and (name N...BB6 - 13913 - 146
216GLUGLUPROPRO(chain 'B' and ((resid 6 through 11 and (name N...BB141 - 154148 - 161
217GLUGLUVALVAL(chain 'B' and ((resid 6 through 11 and (name N...BB156 - 178163 - 185
218ARGARGTHRTHR(chain 'B' and ((resid 6 through 11 and (name N...BB180 - 300187 - 307
219ASPASPGLUGLU(chain 'B' and ((resid 6 through 11 and (name N...BB302 - 320309 - 327
220LEULEUSERSER(chain 'B' and ((resid 6 through 11 and (name N...BB322 - 346329 - 353
221LYSLYSGLNGLN(chain 'B' and ((resid 6 through 11 and (name N...BB352 - 483359 - 490
222TRPTRPILEILE(chain 'B' and ((resid 6 through 11 and (name N...BB485 - 595492 - 602
223SERSERHISHIS(chain 'B' and ((resid 6 through 11 and (name N...BB598 - 635605 - 642
224GLYGLYPROPRO(chain 'B' and ((resid 6 through 11 and (name N...BB638 - 732645 - 739
225PHEPHEMETMET(chain 'B' and ((resid 6 through 11 and (name N...BB734 - 750741 - 757
226ARGARGLEULEU(chain 'B' and ((resid 6 through 11 and (name N...BB755 - 887762 - 894
227LEULEUSERSER(chain 'B' and ((resid 6 through 11 and (name N...BB889 - 922896 - 929
228GLYGLYGLYGLY(chain 'B' and ((resid 6 through 11 and (name N...BB947 - 967954 - 974
329LEULEULEULEU(chain 'C' and ((resid 6 through 11 and (name N...CC6 - 13913 - 146
330GLUGLUPROPRO(chain 'C' and ((resid 6 through 11 and (name N...CC141 - 154148 - 161
331GLUGLUVALVAL(chain 'C' and ((resid 6 through 11 and (name N...CC156 - 178163 - 185
332ARGARGTHRTHR(chain 'C' and ((resid 6 through 11 and (name N...CC180 - 300187 - 307
333ASPASPGLUGLU(chain 'C' and ((resid 6 through 11 and (name N...CC302 - 320309 - 327
334LEULEUSERSER(chain 'C' and ((resid 6 through 11 and (name N...CC322 - 346329 - 353
335LYSLYSGLNGLN(chain 'C' and ((resid 6 through 11 and (name N...CC352 - 483359 - 490
336TRPTRPILEILE(chain 'C' and ((resid 6 through 11 and (name N...CC485 - 595492 - 602
337SERSERHISHIS(chain 'C' and ((resid 6 through 11 and (name N...CC598 - 635605 - 642
338GLYGLYPROPRO(chain 'C' and ((resid 6 through 11 and (name N...CC638 - 732645 - 739
339PHEPHEMETMET(chain 'C' and ((resid 6 through 11 and (name N...CC734 - 750741 - 757
340ARGARGLEULEU(chain 'C' and ((resid 6 through 11 and (name N...CC755 - 887762 - 894
341LEULEUSERSER(chain 'C' and ((resid 6 through 11 and (name N...CC889 - 922896 - 929
342GLYGLYGLYGLY(chain 'C' and ((resid 6 through 11 and (name N...CC947 - 967954 - 974
443LEULEULEULEU(chain 'D' and ((resid 6 through 11 and (name N...DD6 - 13913 - 146
444GLUGLUPROPRO(chain 'D' and ((resid 6 through 11 and (name N...DD141 - 154148 - 161
445GLUGLUVALVAL(chain 'D' and ((resid 6 through 11 and (name N...DD156 - 178163 - 185
446ARGARGTHRTHR(chain 'D' and ((resid 6 through 11 and (name N...DD180 - 300187 - 307
447ASPASPGLUGLU(chain 'D' and ((resid 6 through 11 and (name N...DD302 - 320309 - 327
448LEULEUSERSER(chain 'D' and ((resid 6 through 11 and (name N...DD322 - 346329 - 353
449LYSLYSGLNGLN(chain 'D' and ((resid 6 through 11 and (name N...DD352 - 483359 - 490
450TRPTRPILEILE(chain 'D' and ((resid 6 through 11 and (name N...DD485 - 595492 - 602
451SERSERHISHIS(chain 'D' and ((resid 6 through 11 and (name N...DD598 - 635605 - 642
452GLYGLYPROPRO(chain 'D' and ((resid 6 through 11 and (name N...DD638 - 732645 - 739
453PHEPHEMETMET(chain 'D' and ((resid 6 through 11 and (name N...DD734 - 750741 - 757
454ARGARGLEULEU(chain 'D' and ((resid 6 through 11 and (name N...DD755 - 887762 - 894
455LEULEUSERSER(chain 'D' and ((resid 6 through 11 and (name N...DD889 - 922896 - 929
456GLYGLYGLYGLY(chain 'D' and ((resid 6 through 11 and (name N...DD947 - 967954 - 974
557LEULEULEULEU(chain 'E' and ((resid 6 through 11 and (name N...EE6 - 13913 - 146
558GLUGLUPROPRO(chain 'E' and ((resid 6 through 11 and (name N...EE141 - 154148 - 161
559GLUGLUVALVAL(chain 'E' and ((resid 6 through 11 and (name N...EE156 - 178163 - 185
560ARGARGTHRTHR(chain 'E' and ((resid 6 through 11 and (name N...EE180 - 300187 - 307
561ASPASPGLUGLU(chain 'E' and ((resid 6 through 11 and (name N...EE302 - 320309 - 327
562LEULEUSERSER(chain 'E' and ((resid 6 through 11 and (name N...EE322 - 346329 - 353
563LYSLYSGLNGLN(chain 'E' and ((resid 6 through 11 and (name N...EE352 - 483359 - 490
564TRPTRPILEILE(chain 'E' and ((resid 6 through 11 and (name N...EE485 - 595492 - 602
565SERSERHISHIS(chain 'E' and ((resid 6 through 11 and (name N...EE598 - 635605 - 642
566GLYGLYPROPRO(chain 'E' and ((resid 6 through 11 and (name N...EE638 - 732645 - 739
567PHEPHEMETMET(chain 'E' and ((resid 6 through 11 and (name N...EE734 - 750741 - 757
568ARGARGLEULEU(chain 'E' and ((resid 6 through 11 and (name N...EE755 - 887762 - 894
569LEULEUSERSER(chain 'E' and ((resid 6 through 11 and (name N...EE889 - 922896 - 929
570GLYGLYGLYGLY(chain 'E' and ((resid 6 through 11 and (name N...EE947 - 967954 - 974
671LEULEULEULEU(chain 'F' and ((resid 6 through 11 and (name N...FF6 - 13913 - 146
672GLUGLUPROPRO(chain 'F' and ((resid 6 through 11 and (name N...FF141 - 154148 - 161
673GLUGLUVALVAL(chain 'F' and ((resid 6 through 11 and (name N...FF156 - 178163 - 185
674ARGARGTHRTHR(chain 'F' and ((resid 6 through 11 and (name N...FF180 - 300187 - 307
675ASPASPGLUGLU(chain 'F' and ((resid 6 through 11 and (name N...FF302 - 320309 - 327
676LEULEUSERSER(chain 'F' and ((resid 6 through 11 and (name N...FF322 - 346329 - 353
677LYSLYSGLNGLN(chain 'F' and ((resid 6 through 11 and (name N...FF352 - 483359 - 490
678TRPTRPILEILE(chain 'F' and ((resid 6 through 11 and (name N...FF485 - 595492 - 602
679SERSERHISHIS(chain 'F' and ((resid 6 through 11 and (name N...FF598 - 635605 - 642
680GLYGLYPROPRO(chain 'F' and ((resid 6 through 11 and (name N...FF638 - 732645 - 739
681PHEPHEMETMET(chain 'F' and ((resid 6 through 11 and (name N...FF734 - 750741 - 757
682ARGARGLEULEU(chain 'F' and ((resid 6 through 11 and (name N...FF755 - 887762 - 894
683LEULEUSERSER(chain 'F' and ((resid 6 through 11 and (name N...FF889 - 922896 - 929
684GLYGLYGLYGLY(chain 'F' and ((resid 6 through 11 and (name N...FF947 - 967954 - 974
785LEULEULEULEU(chain 'G' and ((resid 6 through 11 and (name N...GG6 - 13913 - 146
786GLUGLUPROPRO(chain 'G' and ((resid 6 through 11 and (name N...GG141 - 154148 - 161
787GLUGLUVALVAL(chain 'G' and ((resid 6 through 11 and (name N...GG156 - 178163 - 185
788ARGARGTHRTHR(chain 'G' and ((resid 6 through 11 and (name N...GG180 - 300187 - 307
789ASPASPGLUGLU(chain 'G' and ((resid 6 through 11 and (name N...GG302 - 320309 - 327
790LEULEUSERSER(chain 'G' and ((resid 6 through 11 and (name N...GG322 - 346329 - 353
791LYSLYSGLNGLN(chain 'G' and ((resid 6 through 11 and (name N...GG352 - 483359 - 490
792TRPTRPILEILE(chain 'G' and ((resid 6 through 11 and (name N...GG485 - 595492 - 602
793SERSERHISHIS(chain 'G' and ((resid 6 through 11 and (name N...GG598 - 635605 - 642
794GLYGLYPROPRO(chain 'G' and ((resid 6 through 11 and (name N...GG638 - 732645 - 739
795PHEPHEMETMET(chain 'G' and ((resid 6 through 11 and (name N...GG734 - 750741 - 757
796ARGARGLEULEU(chain 'G' and ((resid 6 through 11 and (name N...GG755 - 887762 - 894
797LEULEUSERSER(chain 'G' and ((resid 6 through 11 and (name N...GG889 - 922896 - 929
798GLYGLYGLYGLY(chain 'G' and ((resid 6 through 11 and (name N...GG947 - 967954 - 974
899LEULEULEULEU(chain 'H' and ((resid 6 through 11 and (name N...HH6 - 13913 - 146
8100GLUGLUPROPRO(chain 'H' and ((resid 6 through 11 and (name N...HH141 - 154148 - 161
8101GLUGLUVALVAL(chain 'H' and ((resid 6 through 11 and (name N...HH156 - 178163 - 185
8102ARGARGTHRTHR(chain 'H' and ((resid 6 through 11 and (name N...HH180 - 300187 - 307
8103ASPASPGLUGLU(chain 'H' and ((resid 6 through 11 and (name N...HH302 - 320309 - 327
8104LEULEUSERSER(chain 'H' and ((resid 6 through 11 and (name N...HH322 - 346329 - 353
8105LYSLYSGLNGLN(chain 'H' and ((resid 6 through 11 and (name N...HH352 - 483359 - 490
8106TRPTRPILEILE(chain 'H' and ((resid 6 through 11 and (name N...HH485 - 595492 - 602
8107SERSERHISHIS(chain 'H' and ((resid 6 through 11 and (name N...HH598 - 635605 - 642
8108GLYGLYPROPRO(chain 'H' and ((resid 6 through 11 and (name N...HH638 - 732645 - 739
8109PHEPHEMETMET(chain 'H' and ((resid 6 through 11 and (name N...HH734 - 750741 - 757
8110ARGARGLEULEU(chain 'H' and ((resid 6 through 11 and (name N...HH755 - 887762 - 894
8111LEULEUSERSER(chain 'H' and ((resid 6 through 11 and (name N...HH889 - 922896 - 929
8112GLYGLYGLYGLY(chain 'H' and ((resid 6 through 11 and (name N...HH947 - 967954 - 974

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Components

#1: Protein
Phosphoenolpyruvate carboxylase 1 / AtPPC1 / PEPC 1 / PEPCase 1 / 107-kDa PEPC polypeptide


Mass: 111398.164 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: PPC1, p107, At1g53310, F12M16.21 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q9MAH0, phosphoenolpyruvate carboxylase
#2: Chemical
ChemComp-LMR / (2S)-2-hydroxybutanedioic acid / L-Malate


Mass: 134.087 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C4H6O5 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical...
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 40 / Source method: obtained synthetically / Formula: C4H10O3
#4: Chemical...
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 23 / Source method: obtained synthetically / Formula: Cl
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 133 / 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: 4.1 Å3/Da / Density % sol: 70.03 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 7.5
Details: 30%PEG400, 0.1 M Hepes Sodium Salt pH 7.5, 200mM Magnesium Chloride

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.981 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 16, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.981 Å / Relative weight: 1
ReflectionResolution: 3.142→50 Å / Num. obs: 237667 / % possible obs: 99.3 % / Redundancy: 7.11 % / Biso Wilson estimate: 82.2502477245 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.292 / Net I/σ(I): 6.94
Reflection shellResolution: 3.143→3.33 Å / Redundancy: 6.42 % / Rmerge(I) obs: 2.102 / Mean I/σ(I) obs: 0.89 / Num. unique obs: 36978 / CC1/2: 0.352 / % possible all: 96.1

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.14239899937→48.9254741206 Å / SU ML: 0.527092632809 / Cross valid method: FREE R-VALUE / σ(F): 1.3280661634 / Phase error: 25.6059321202
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.239756715239 11875 4.99962108135 %
Rwork0.202062209888 225643 -
obs0.20393187438 237518 99.3022196022 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 75.9200195511 Å2
Refinement stepCycle: LAST / Resolution: 3.14239899937→48.9254741206 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms58490 0 295 133 58918
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0057783318625660198
X-RAY DIFFRACTIONf_angle_d0.83680890531681660
X-RAY DIFFRACTIONf_chiral_restr0.04700905103519163
X-RAY DIFFRACTIONf_plane_restr0.0059871953906210633
X-RAY DIFFRACTIONf_dihedral_angle_d12.676923545936274
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1424-3.17810.4681740872363190.4442247365366051X-RAY DIFFRACTION81.0123362584
3.1781-3.21550.4181353951614010.3805801142097616X-RAY DIFFRACTION99.9875280619
3.2155-3.25470.3587862868093980.3453764594717560X-RAY DIFFRACTION99.9623162919
3.2547-3.29590.3616542176453960.3330038650787530X-RAY DIFFRACTION99.9621642073
3.2959-3.33920.3580534025264000.323667113177587X-RAY DIFFRACTION99.9249343175
3.3392-3.3850.348330149693960.3083832208487524X-RAY DIFFRACTION99.9495204442
3.385-3.43330.3403685143254000.3052509178197591X-RAY DIFFRACTION99.9499687305
3.4333-3.48450.324044903673950.2887578364227505X-RAY DIFFRACTION99.9493927126
3.4845-3.5390.300734746194010.2757956541457631X-RAY DIFFRACTION99.9626633479
3.539-3.5970.2827913874173960.2599474287017539X-RAY DIFFRACTION99.9496158206
3.597-3.6590.3190377854153960.2557814460637530X-RAY DIFFRACTION99.9621642073
3.659-3.72550.2825013007743990.2550385354417570X-RAY DIFFRACTION99.9372962127
3.7255-3.79710.2690590824143960.2325686196277539X-RAY DIFFRACTION99.9622071051
3.7971-3.87460.265948435654000.2174309154347595X-RAY DIFFRACTION99.9499937492
3.8746-3.95880.2360985676823980.198817481367555X-RAY DIFFRACTION99.9497297977
3.9588-4.05090.2197658402453980.1863535241827566X-RAY DIFFRACTION100
4.0509-4.15210.2426772434333980.1943894089157577X-RAY DIFFRACTION99.9749279178
4.1521-4.26430.2244148511483980.1791849688647563X-RAY DIFFRACTION99.9497802888
4.2643-4.38970.2096608009893980.1733819410067556X-RAY DIFFRACTION99.9748617396
4.3897-4.53130.1968243116223990.1566667621787576X-RAY DIFFRACTION99.912302681
4.5313-4.69320.1935033001693990.1461552271747574X-RAY DIFFRACTION99.9122807018
4.6932-4.88090.1821380417483990.1497969738697578X-RAY DIFFRACTION99.8998121478
4.8809-5.10280.2060481092463990.159688004087559X-RAY DIFFRACTION99.9372095944
5.1028-5.37150.206527724253980.1583991714527563X-RAY DIFFRACTION99.9497802888
5.3715-5.70760.2127468673593990.1664190492247591X-RAY DIFFRACTION99.974974975
5.7076-6.14750.2451579620754010.1893033639167612X-RAY DIFFRACTION99.9875218368
6.1475-6.76470.2253966433913990.1797913869957595X-RAY DIFFRACTION99.9499874969
6.7647-7.74030.2047479018733990.1604988619447597X-RAY DIFFRACTION99.9375078115
7.7403-9.73930.1537023571624000.1313437755767602X-RAY DIFFRACTION99.9001248439
9.7393-48.92547412060.215114366934000.1896789164127611X-RAY DIFFRACTION99.2197176121

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