Structure of PDB 4owg Chain A Binding Site BS01

Receptor Information
>4owg Chain A (length=246) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRKFFVGGNWKMNGRKKNLGELITTLNAAKVPADTEVVCAPPTAYIDFAR
QKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVF
GESDELIGQKVAHALSEGLGVIACIGEKLDEREAGITEKVVFEQTKVIAD
NVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQ
STRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ
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 chain4owg Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4owg Crystal structure of rabbit muscle triosephosphate isomerase-PEP complex
Resolution1.55 Å
Binding residue
(original residue number in PDB)		K13 H95 E165 I170 G171 G210 S211 L230 G232 G233
Binding residue
(residue number reindexed from 1)		K11 H93 E163 I168 G169 G208 S209 L228 G230 G231
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N11 K13 H95 E97 E165 G171 S211
Catalytic site (residue number reindexed from 1) N9 K11 H93 E95 E163 G169 S209
Enzyme Commision number 4.2.3.3: methylglyoxal synthase.
5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0008929 methylglyoxal synthase activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0031625 ubiquitin protein ligase binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006006 glucose metabolic process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0019242 methylglyoxal biosynthetic process
GO:0019563 glycerol catabolic process
GO:0019682 glyceraldehyde-3-phosphate metabolic process
GO:0046166 glyceraldehyde-3-phosphate biosynthetic process
GO:0061621 canonical glycolysis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4owg, PDBe:4owg, PDBj:4owg
PDBsum4owg
PubMed
UniProtP00939|TPIS_RABIT Triosephosphate isomerase (Gene Name=TPI1)

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