Structure of PDB 1pdz Chain A Binding Site BS01

Receptor Information
>1pdz Chain A (length=433) Species: 6707 (Homarus gammarus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SITKVFARTIFDSRGNPTVEVDLYTSKGLFRAAVPSGASTGVHEALEMRD
GDKSKYHGKSVFNAVKNVNDVIVPEIIKSGLKVTQQKECDEFMCKLDGTE
NKSSLGANAILGVSLAICKAGAAELGIPLYRHIANLANYDEVILPVPAFN
VINGGSHAGNKLAMQEFMILPTGATSFTEAMRMGTEVYHHLKAVIKARFG
LDATAVGDEGGFAPNILNNKDALDLIQEAIKKAGYTGKIEIGMDVAASEF
YKQNNIYDLDFKTANNDGSQKISGDQLRDMYMEFCKDFPIVSIEDPFDQD
DWETWSKMTSGTTIQIVGDDLTVTNPKRITTAVEKKACKCLLLKVNQIGS
VTESIDAHLLAKKNGWGTMVSHRSGETEDCFIADLVVGLCTGQIKTGAPC
RSERLAKYNQILRIEEELGSGAKFAGKNFRAPS
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain1pdz Chain A Residue 439 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pdz X-ray structure and catalytic mechanism of lobster enolase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S36 K344 R373 S374
Binding residue
(residue number reindexed from 1)		S36 K344 R373 S374
Annotation score1
Binding affinityMOAD: Ki=0.2mM
PDBbind-CN: -logKd/Ki=3.70,Ki=0.2mM
Enzymatic activity
Catalytic site (original residue number in PDB) S39 H157 E166 E209 D244 E294 D319 K344 H372 K395
Catalytic site (residue number reindexed from 1) S39 H157 E166 E209 D244 E294 D319 K344 H372 K395
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:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pdz, PDBe:1pdz, PDBj:1pdz
PDBsum1pdz
PubMed7547999
UniProtP56252|ENO_HOMGA Enolase

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