Structure of PDB 2ay5 Chain B Binding Site BS02

Receptor Information
>2ay5 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 IDIOP
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCC(=O)O
CACTVS 3.341OC(=O)CCc1c[nH]c2ccccc12
FormulaC11 H11 N O2
NameINDOLYLPROPIONIC ACID
ChEMBLCHEMBL207225
DrugBankDB02758
ZINCZINC000000007700
PDB chain2ay5 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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PDB2ay5 The active site of Paracoccus denitrificans aromatic amino acid aminotransferase has contrary properties: flexibility and rigidity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G38 W140 N142 R386
Binding residue
(residue number reindexed from 1)		G28 W121 N123 R365
Annotation score1
Binding affinityMOAD: Kd=2.6mM
PDBbind-CN: -logKd/Ki=2.59,Kd=2.6mM
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:2ay5, PDBe:2ay5, PDBj:2ay5
PDBsum2ay5
PubMed9930977
UniProtP95468|TYRB_PARDE Aromatic-amino-acid aminotransferase (Gene Name=tyrB)

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