Structure of PDB 2ay4 Chain B Binding Site BS02

Receptor Information
>2ay4 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 IDPPT
InChIInChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyLDYGRLNSOKABMM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc1ccc(cc1)C
CACTVS 3.341Cc1ccc(CCC(O)=O)cc1
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)CCC(=O)O
FormulaC10 H12 O2
Name3-(P-TOLYL)PROPIONIC ACID
ChEMBLCHEMBL1235413
DrugBankDB03400
ZINCZINC000000135745
PDB chain2ay4 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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PDB2ay4 The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I17 G38 W140 N142 R386
Binding residue
(residue number reindexed from 1)		I13 G28 W121 N123 R365
Annotation score1
Binding affinityMOAD: Kd=1.24mM
PDBbind-CN: -logKd/Ki=2.91,Kd=1.24mM
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:2ay4, PDBe:2ay4, PDBj:2ay4
PDBsum2ay4
PubMed9930977
UniProtP95468|TYRB_PARDE Aromatic-amino-acid aminotransferase (Gene Name=tyrB)

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