Structure of PDB 2oek Chain A Binding Site BS01

Receptor Information
>2oek Chain A (length=412) Species: 1462 (Geobacillus kaustophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAVMATYLLHDETDIRKKAEGIALGLTIGTWTDLPALEQEQLRKHKGEVV
AIEELGESERVNAYFGKRLKRAIVKIAYPTVNFSADLPALLVTTFGKLSL
DGEVRLLDLEFPDEWKRQFPGPRFGIDGIRDRVGVHNRPLLMSIFKGMIG
RDLAYLTSELKKQALGGVDLVKDDEILFDSELLPFEKRITEGKAALQEVY
EQTGKRTLYAVNLTGKTFALKDKAKRAAELGADVLLFNVFAYGLDVLQAL
REDEEIAVPIMAHPAFSGAVTPSEFYGVAPSLWLGKLLRLAGADFVLFPS
PYGSVALEREQALGIARALTDDQEPFARAFPVPSAGIHPGLVPLIIRDFG
LDTIVNAGGGIHGHPDGAIGGGRAFRAAIDAVLAGRPLRAAAAENEALQK
AIDRWGVVEVEA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2oek Chain A Residue 901 [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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PDB2oek Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K173 D175 E176
Binding residue
(residue number reindexed from 1)		K172 D174 E175
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K147 K173 D174 D175 E176 H264 L298 S305
Catalytic site (residue number reindexed from 1) K146 K172 D173 D174 E175 H263 L297 S304
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:2oek, PDBe:2oek, PDBj:2oek
PDBsum2oek
PubMed17352497
UniProtQ5L1E2|MTNW_GEOKA 2,3-diketo-5-methylthiopentyl-1-phosphate enolase (Gene Name=mtnW)

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