Structure of PDB 5eu9 Chain H Binding Site BS02

Receptor Information
>5eu9 Chain H (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIEKIWAREILDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRD
GDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGTE
NKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAFN
VINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKYG
KDATNVGDEGGFAPNILENSEALELVKEAIDKAGYTEKIVIGMDVAASEF
YRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDDW
AAWSKFTANVGIQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSVT
EAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRS
ERLAKYNQLMRIEEELGDEARFAGHNFRNPSVL
Ligand information
Ligand ID5TX
InChIInChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1
InChIKeyVVBLYPMICKYZTP-UCORVYFPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O
CACTVS 3.385C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O
OpenEye OEToolkits 2.0.4CC1(CC(N(C1=O)O)O)P(=O)(O)O
CACTVS 3.385C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O
FormulaC5 H10 N O6 P
Name((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
ChEMBLCHEMBL5187779
DrugBank
ZINCZINC000584905322
PDB chain5eu9 Chain H Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eu9 SF2312, a natural phosphonate inhibitor of Enolase
Resolution2.047 Å
Binding residue
(original residue number in PDB)		G38 A39 S40 Q166 E167 D245 D318 K343 H371 R372 S373 K394
Binding residue
(residue number reindexed from 1)		G37 A38 S39 Q165 E166 D244 D317 K342 H370 R371 S372 K393
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) S39 H157 E166 E209 D244 E292 D317 K342 H370 K393
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:5eu9, PDBe:5eu9, PDBj:5eu9
PDBsum5eu9
PubMed
UniProtP09104|ENOG_HUMAN Gamma-enolase (Gene Name=ENO2)

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