Structure of PDB 2yr6 Chain A Binding Site BS02

Receptor Information
>2yr6 Chain A (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 IDBE2
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)N
FormulaC7 H7 N O2
Name2-AMINOBENZOIC ACID
ChEMBLCHEMBL14173
DrugBankDB04166
ZINCZINC000000047985
PDB chain2yr6 Chain A Residue 906 [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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PDB2yr6 Structural basis of proteolytic activation of L-phenylalanine oxidase from Pseudomonas sp. P-501.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R143 T313 F316 W538 F617 G659 W660
Binding residue
(residue number reindexed from 1)		R124 T294 F297 W515 F594 G636 W637
Annotation score1
Binding affinityMOAD: Ki=0.87mM
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:2yr6, PDBe:2yr6, PDBj:2yr6
PDBsum2yr6
PubMed18417467
UniProtQ5W9R9|PAO_PSESP Phenylalanine 2-monooxygenase precursor

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