Structure of PDB 5td9 Chain A Binding Site BS01

Receptor Information
>5td9 Chain A (length=434) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSIEKIWAREILDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELR
DGDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGT
ENKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAF
NVINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKY
GKDATNVGDEGGFAPNILENSEALELVKEAIDKAGYTEKIVIGMDVAASE
FYRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDD
WAAWSKFTANVGIQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSV
TEAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCR
SERLAKYNQLMRIEEELGDEARFAGHNFRNPSVL
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 chain5td9 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5td9 Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
Resolution2.318 Å
Binding residue
(original residue number in PDB)		D245 E293 D318
Binding residue
(residue number reindexed from 1)		D245 E293 D318
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S40 H158 E167 E210 D245 E293 D318 K343 H371 K394
Catalytic site (residue number reindexed from 1) S40 H158 E167 E210 D245 E293 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:0005515 protein binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0061621 canonical glycolysis
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0001917 photoreceptor inner segment
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043025 neuronal cell body
GO:0043204 perikaryon
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5td9, PDBe:5td9, PDBj:5td9
PDBsum5td9
PubMed
UniProtP09104|ENOG_HUMAN Gamma-enolase (Gene Name=ENO2)

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