Structure of PDB 3ggg Chain D Binding Site BS02

Receptor Information
>3ggg Chain D (length=293) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNIIKILKSLSMQNVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPES
ISKAVDLGIIDEGTTSIAKVEDFSPDFVMLSSPVRTFREIAKKLSYILSE
DATVTDQGSVKGKLVYDLENILGKRFVGGHPIAGTEKSGVEYSLDNLYEG
KKVILTPTKKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPH
AVAFALVDTLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENK
ENVMKAIEGFEKSLNHLKELIVREAEEELVEYLKEVKIKRMEI
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain3ggg Chain B Residue 6959 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ggg The Crystal Structure of Aquifex aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G242 G243
Binding residue
(residue number reindexed from 1)		G225 G226
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:3ggg, PDBe:3ggg, PDBj:3ggg
PDBsum3ggg
PubMed19279014
UniProtO67636

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