Structure of PDB 6q7u Chain A Binding Site BS01

Receptor Information
>6q7u Chain A (length=204) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNLRVLLDTAIPPSFCDTVSSVLLDDFNMVSLIRTSPADSLATIKQDNAE
IDIAITIDEELKISRFNQCVLGYTKAFVVAHPQHPLCNASLHSIASLANY
RQISLGSRSGQHSNLLRPVSDKVLFVENFDDMLRLVEAGVGWGIAPHYFV
EERLRNGTLAVLSELYEPGGIDTKVYCYYNTALESERSFLRFLESARQRL
RELG
Ligand information
Ligand IDHLH
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
InChIKeyUYRHHBXYXSYGHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCCCC1=CC(=O)c2ccccc2N1
FormulaC16 H21 N O
Name2-heptyl-1~{H}-quinolin-4-one
ChEMBLCHEMBL527817
DrugBank
ZINCZINC000048307275
PDB chain6q7u Chain A Residue 400 [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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PDB6q7u Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		I149 A168 L207 I236
Binding residue
(residue number reindexed from 1)		I57 A76 L115 I144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6q7u, PDBe:6q7u, PDBj:6q7u
PDBsum6q7u
PubMed31709767
UniProtQ9I4X0|MVFR_PSEAE Multiple virulence factor regulator MvfR (Gene Name=mvfR)

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