Structure of PDB 2y2x Chain B Binding Site BS07

Receptor Information
>2y2x Chain B (length=378) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFLEDAKTDLVLRNYYFNRDFRDLVDEWAQGFILKFSSGYTPGTVGVGLD
AIGLFGVKLNSGTSNELLPLHDDGRAADNYGRVGVAAKLRVSASELKIGE
MLPDIPLLRYDDGRLLPQTFRGFAVVSRELPGLALQAGRFDAVSLRNSAD
MQDLSAWSAPTQKSDGFNYAGAEYRFNRERTQLGLWHGQLEDVYRQSYAN
LLHKQRVGDWTLGANLGLFVDRDDGAARAGEIDSHTVYGLFSAGIGLHTF
YLGLQKVGGDSGWQSVYGSSGRSMGNDMFNGNFTNADERSWQVRYDYDFV
GLGWPGLIGMVRYGHGSNATTKAGSGGKEWERDVELGYTVQSGPLARLNV
RLNHASNRRSFNSDFDQTRLVVSYPLSW
Ligand information
Ligand IDVNL
InChIInChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 12.01[O-]C(=O)c1cc(OC)c(O)cc1
OpenEye OEToolkits 1.7.0COc1cc(ccc1O)C(=O)[O-]
CACTVS 3.370COc1cc(ccc1O)C([O-])=O
FormulaC8 H7 O4
Name4-HYDROXY-3-METHOXYBENZOATE;
vanillate
ChEMBL
DrugBankDB02130
ZINC
PDB chain2y2x Chain B Residue 1409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y2x Pseudomonas Aeruginosa Opdk with Vanillate
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K44 F45 D59 A60 I61 M113
Binding residue
(residue number reindexed from 1)		K35 F36 D50 A51 I52 M101
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2y2x, PDBe:2y2x, PDBj:2y2x
PDBsum2y2x
PubMed
UniProtQ9HUR5

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