Structure of PDB 5boe Chain B Binding Site BS01

Receptor Information
>5boe Chain B (length=433) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPIITDVYAREVLDSRGNPTVEVEVLTESGAFGRALVPSGASTGEHEAVE
LRDGDKSRYLGKGVTKAVENVNEIIAPEIIEGEFSVLDQVSIDKMMIALD
GTPNKGKLGANAILGVSIAVARAAADLLGQPLYKYLGGFNGKQLPVPMMN
IVNGGSHSDAPIAFQEFMILPVGATTFKESLRWGTEIFHNLKSILSKRGL
ETAVGDEGGFAPKFEGTEDAVETIIQAIEAAGYKPGEEVFLGFDCASSEF
YENGVYDYSKFEGEHGAKRTAAEQVDYLEQLVDKYPIITIEDGMDENDWD
GWKQLTERIGDRVQLVGDDLFVTNTEILAKGIENGIGNSILIKVNQIGTL
TETFDAIEMAQKAGYTAVVSHRSGETEDTTIADIAVATNAGQIKTGSLSR
TDRIAKYNQLLRIEDELFETAKYDGIKSFYNLD
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain5boe Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5boe Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate
Resolution1.6 Å
Binding residue
(original residue number in PDB)		K343 H371 R372 S373 K394
Binding residue
(residue number reindexed from 1)		K343 H371 R372 S373 K394
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S42 H157 E166 E207 D244 E291 D318 K343 H371 K394
Catalytic site (residue number reindexed from 1) S42 H157 E166 E207 D244 E291 D318 K343 H371 K394
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5boe, PDBe:5boe, PDBj:5boe
PDBsum5boe
PubMed26627653
UniProtO69174|ENO_STAAU Enolase (Gene Name=eno)

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