Structure of PDB 2oem Chain A Binding Site BS02

Receptor Information
>2oem Chain A (length=408) 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
AIDRWGVV
Ligand information
Ligand ID1AE
InChIInChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-
InChIKeyHEBDCWKDNSCZMW-XQRVVYSFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O\C=C(/O)C(=O)CCC)(O)O
OpenEye OEToolkits 1.5.0CCCC(=O)C(=COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CCCC(=O)/C(=C/OP(=O)(O)O)/O
CACTVS 3.341CCCC(=O)\C(O)=C\O[P](O)(O)=O
CACTVS 3.341CCCC(=O)C(O)=CO[P](O)(O)=O
FormulaC6 H11 O6 P
Name(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE;
2,3-DIKETOHEXANE 1-PHOSPHATE
ChEMBL
DrugBankDB06881
ZINCZINC000053683702
PDB chain2oem 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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PDB2oem Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I145 K147 K173 H264 S335 A336 G337 A358 G359 G360
Binding residue
(residue number reindexed from 1)		I144 K146 K172 H263 S334 A335 G336 A357 G358 G359
Annotation score2
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:2oem, PDBe:2oem, PDBj:2oem
PDBsum2oem
PubMed17352497
UniProtQ5L1E2|MTNW_GEOKA 2,3-diketo-5-methylthiopentyl-1-phosphate enolase (Gene Name=mtnW)

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