Structure of PDB 3ujf Chain B Binding Site BS02
Receptor Information
>3ujf Chain B (length=432) Species:
9606
(Homo sapiens) [
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SIEKIWAREILDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRD
GDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGTE
NKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAFN
VINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKYG
KDATNVGDEGGFAPNILENSEALELVKEAIDKAGYTEKIVIGMDVAASEF
YRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDDW
AAWSKFTANVGIQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSVT
EAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRS
ERLAKYNQLMRIEEELGDEARFAGHNFRNPSV
Ligand information
Ligand ID
PEP
InChI
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341
OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04
O=C(O)C(\OP(=O)(O)O)=C
Formula
C3 H5 O6 P
Name
PHOSPHOENOLPYRUVATE
ChEMBL
CHEMBL1235228
DrugBank
DB01819
ZINC
ZINC000003870145
PDB chain
3ujf Chain B Residue 503 [
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Receptor-Ligand Complex Structure
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PDB
3ujf
Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
G37 A38 S39 Q165 E166 D244 D317 K342 H370 R371 S372 K393
Binding residue
(residue number reindexed from 1)
G37 A38 S39 Q165 E166 D244 D317 K342 H370 R371 S372 K393
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
S39 H157 E166 E209 D244 E292 D317 K342 H370 K393
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:3ujf
,
PDBe:3ujf
,
PDBj:3ujf
PDBsum
3ujf
PubMed
22437160
UniProt
P09104
|ENOG_HUMAN Gamma-enolase (Gene Name=ENO2)
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