Structure of PDB 3ayl Chain B Binding Site BS02

Receptor Information
>3ayl 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 IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain3ayl Chain B Residue 1905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ayl 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
Resolution1.25 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 score1
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:3ayl, PDBe:3ayl, PDBj:3ayl
PDBsum3ayl
PubMed21841183
UniProtQ5W9R9|PAO_PSESP Phenylalanine 2-monooxygenase precursor

[Back to BioLiP]