Structure of PDB 2jb2 Chain A Binding Site BS01

Receptor Information
>2jb2 Chain A (length=478) Species: 37919 (Rhodococcus opacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLIGKVKGSHSVVVLGGGPAGLCSAFELQKAGYKVTVLEARTRPGGRVWT
ARGGSEETDLSGETQKCTFSEGHFYNVGATRIPQSHITLDYCRELGVEIQ
GFGNQNANTFVNYQSDTSLSGQSVTYRAAKADTFGYMSELLKKATDQGAL
DQVLSREDKDALSEFLSDFGDLSDDGRYLGSSRRGYDSEPGAGLNFGTEK
KPFAMQEVIRSGIGRNFSFDFGYDQAMMMFTPVGGMDRIYYAFQDRIGTD
NIVFGAEVTSMKNVSEGVTVEYTAGGSKKSITADYAICTIPPHLVGRLQN
NLPGDVLTALKAAKPSSSGKLGIEYSRRWWETEDRIYGGASNTDKDISQI
MFPYDHYNSDRGVVVAYYSSGKRQEAFESLTHRQRLAKAIAEGSEIHGEK
YTRDISSSFSGSWRRTKYSESAWANWAGSATPEYEKLLEPVDKIYFAGDH
LSNAIAWQHGALTSARDVVTHIHERVAQ
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain2jb2 Chain A Residue 1490 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jb2 The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
Resolution1.45 Å
Binding residue
(original residue number in PDB)		R84 Q228 Y371 A466 W467
Binding residue
(residue number reindexed from 1)		R81 Q225 Y368 A456 W457
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R218 K323
Catalytic site (residue number reindexed from 1) R215 K320
Enzyme Commision number 1.4.3.2: L-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0001716 L-amino-acid oxidase activity
GO:0016491 oxidoreductase activity
GO:0050025 L-glutamate oxidase activity
GO:0050029 L-lysine oxidase activity
GO:0106329 L-phenylalaine oxidase activity
Biological Process
GO:0009063 amino acid catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jb2, PDBe:2jb2, PDBj:2jb2
PDBsum2jb2
PubMed17234209
UniProtQ8VPD4|OXLA_RHOOP L-amino acid oxidase

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