Structure of PDB 3ggp Chain A Binding Site BS02

Receptor Information
>3ggp Chain A (length=286) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSLSMQNVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPESISKAVDLG
IIDEGTTSIAKVEDFSPDFVMLSSPVRTFREIAKKLSYILSEDATVTDQG
SVKGKLVYDLENILGKRFVGGHPIAGTEKSGVEYSLDNLYEGKKVILTPT
KKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPHAVAFALVD
TLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENKENVMKAIE
GFEKSLNHLKELIVREAEEELVEYLKEVKIKRMEID
Ligand information
Ligand IDHPP
InChIInChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyNMHMNPHRMNGLLB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)O)O
CACTVS 3.341OC(=O)CCc1ccc(O)cc1
FormulaC9 H10 O3
NameHYDROXYPHENYL PROPIONIC ACID
ChEMBLCHEMBL1172560
DrugBankDB03897
ZINCZINC000008383206
PDB chain3ggp Chain C Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ggp The Crystal Structure of Aquifex aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G243 G244
Binding residue
(residue number reindexed from 1)		G218 G219
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004665 prephenate dehydrogenase (NADP+) activity
GO:0008977 prephenate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0070403 NAD+ binding
Biological Process
GO:0006571 tyrosine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ggp, PDBe:3ggp, PDBj:3ggp
PDBsum3ggp
PubMed19279014
UniProtO67636

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