Structure of PDB 3ayj Chain B Binding Site BS02

Receptor Information
>3ayj Chain B (length=684) Species: 266807 (Pseudomonas sp. P-501) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIATTVGEARLSGINYRHPDSALVSYPVAAAAPLGRLPAGNYRIAIVGGG
AGGIAALYELGRLAATLPAGSGIDVQIYEADPDSFLHDRAIKVRGLKAGR
VSAALVHNGDPASGDTIYEVGAMRFPEIAGLTWHYASAAFGDAAPIKVFP
NPGKVPTEFVFGNRVDRYVGSDPKDWEDPDSPTLKVLGVVAGGLVGNPQG
ENVAMYPIANVDPAKIAAILNAATPPADALERIQTKYWPEFIAQYDGLTL
GAAVREIVTVAFEKGTLPPVDGVLDVDESISYYVELFGRFGFGTGGFKPL
YNISLVEMMRLILWDYSNEYTLPVTENVEFIRNLFLKAQNVGAGKLVVQV
RQERVANACHSGTASARAQLLSYDSHNAVHSEAYDFVILAVPHDQLTPIV
SRSGFEHAASQNLGDAGLGLETHTYNQVYPPLLLSDSSPAANARIVTAIG
QLHMARSSKVFATVKTAALDQPWVPQWRGEPIKAVVSDSGLAASYVVPSP
IVAPEYSSLLASYTWEDDSTRLRHDFGLYPQNPATETGTADGMYRTMVNR
AYRYVKYAGASNAQPWWFYQLLAEARTADRFVFDWTTNKTAGGFKLDMTG
DHHQSNLCFRYHTHALAASLDNRFFIASDSYSHLGGWLEGAFMSALNAVA
GLIVRANRGDVSALSTEARPLVIGLRPVVKVPAA
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 chain3ayj Chain B Residue 1904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ayj High resolution X-ray crystal structures of L-phenylalanine oxidase (deaminating and decarboxylating) from Pseudomonas sp. P-501. Structures of the enzyme-ligand complex and catalytic mechanism
Resolution1.1 Å
Binding residue
(original residue number in PDB)		R143 Y536 W538 F617 G659 W660
Binding residue
(residue number reindexed from 1)		R124 Y513 W515 F594 G636 W637
Annotation score5
Enzymatic activity
Enzyme Commision number 1.13.12.9: phenylalanine 2-monooxygenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0050172 phenylalanine 2-monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3ayj, PDBe:3ayj, PDBj:3ayj
PDBsum3ayj
PubMed21841183
UniProtQ5W9R9|PAO_PSESP Phenylalanine 2-monooxygenase precursor

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