Structure of PDB 2ay9 Chain B Binding Site BS03

Receptor Information
>2ay9 Chain B (length=388) Species: 266 (Paracoccus denitrificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLGNLKPQAPDKILALMGEFGKIDLGVGVYKDATGHTPIMRAVHAAEQRM
LETETTKTYAGLSGEPEFQKAMGELILGDGLKSETTATLATVGGTGALRQ
ALELARMANPDLRVFVSDPTWPNHVSIMNFMGLPVQTYRYFDAETRGVDF
EGMKADLAAAKKGDMVLLHGCCHNPTGANLTLDQWAEIASILEKTGALPL
IDLAYQGFGDGLEEDAAGTRLIASRIPEVLIAASCSKNFGIYRERTGCLL
ALCADAATRELAQGAMAFLNRQTYSFPPFHGAKIVSTVLTTPELRADWMA
ELEAVRSGMLRLREQLAGELRDLSGSDRFGFVAEHRGMFSRLGATPEQVK
RIKEEFGIYMVGDSRINIAGLNDNTIPILARAIIEVGV
Ligand information
Ligand ID5PV
InChIInChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKeyBYHDDXPKOZIZRV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCC(=O)O
CACTVS 3.341OC(=O)CCCCc1ccccc1
ACDLabs 10.04O=C(O)CCCCc1ccccc1
FormulaC11 H14 O2
Name5-PHENYLVALERIC ACID
ChEMBLCHEMBL443064
DrugBankDB04051
ZINCZINC000001692494
PDB chain2ay9 Chain B Residue 414 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ay9 The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D15 G38 W140 N142 N194 K258 R386
Binding residue
(residue number reindexed from 1)		D11 G28 W121 N123 N174 K237 R365
Annotation score1
Binding affinityMOAD: Kd=6.9mM
PDBbind-CN: -logKd/Ki=2.16,Kd=6.9mM
Enzymatic activity
Catalytic site (original residue number in PDB) W140 D222 A224 K258
Catalytic site (residue number reindexed from 1) W121 D202 A204 K237
Enzyme Commision number 2.6.1.57: aromatic-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0004838 L-tyrosine-2-oxoglutarate transaminase activity
GO:0008483 transaminase activity
GO:0008793 aromatic-amino-acid transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0080130 L-phenylalanine-2-oxoglutarate transaminase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0033585 L-phenylalanine biosynthetic process from chorismate via phenylpyruvate
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:2ay9, PDBe:2ay9, PDBj:2ay9
PDBsum2ay9
PubMed9930977
UniProtP95468|TYRB_PARDE Aromatic-amino-acid aminotransferase (Gene Name=tyrB)

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