Structure of PDB 2oej Chain B Binding Site BS01

Receptor Information
>2oej Chain B (length=407) Species: 1462 (Geobacillus kaustophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAVMATYLLHDETDIRKKAEGIALGLTIGTWTDLPALEQEQLRKHKGEVV
AIEELGESERVNAYFGKRLKRAIVKIAYPTVNFSADLPALLVTTFGKLSL
DGEVRLLDLEFPDEWKRQFPGPRFGIDGIRDRVGVHNRPLLMSIFKGMIG
RDLAYLTPELKKQALGGVDLVKDDEILFDSELLPFEKRITEGKAALQEVY
EQTGKRTLYAVNLTGKTFALKDKAKRAAELGADVLLFNVFAYGLDVLQAL
REDEEIAVPIMAHPVFSGAVTPSEFYGVAPSLWLGKLLRLAGADFVLFPS
PYEREQALGIARALTDDQEPFARAFPVPSAGIHPGLVPLIIRDFGLDTIV
NAGGGIHGHPHGAIGGGRAFRAAIDAVLAGRPLRAAAAENEALQKAIDRW
GVVEVEA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2oej Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2oej Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		A336 G337 G359 G360
Binding residue
(residue number reindexed from 1)		A330 G331 G353 G354
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K147 K173 D174 D175 E176 H264 V297
Catalytic site (residue number reindexed from 1) K146 K172 D173 D174 E175 H263 V296
Enzyme Commision number 5.3.2.5: 2,3-diketo-5-methylthiopentyl-1-phosphate enolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016853 isomerase activity
GO:0016984 ribulose-bisphosphate carboxylase activity
GO:0043715 2,3-diketo-5-methylthiopentyl-1-phosphate enolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009086 methionine biosynthetic process
GO:0015977 carbon fixation
GO:0019509 L-methionine salvage from methylthioadenosine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2oej, PDBe:2oej, PDBj:2oej
PDBsum2oej
PubMed17352497
UniProtQ5L1E2|MTNW_GEOKA 2,3-diketo-5-methylthiopentyl-1-phosphate enolase (Gene Name=mtnW)

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