Structure of PDB 3qp8 Chain C Binding Site BS01

Receptor Information
>3qp8 Chain C (length=181) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNARPLPAGLTASQQWTLLEWIHMAGHIETEGELKAFLDNILSQAPSDRI
ILVLGRLNNQNQIQRMEKVLNVSYPSDWLNQYSQENFAQHDPIMRIHLGQ
GPVIWEERFSRAKGSEEKRFIAEASSNGMGSGITFSAASDRNNVGSILSI
GGKEPGRNAALVAMLNCLTPHLHQAAVRIAN
Ligand information
Ligand IDHL0
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyTZWZKDULKILUPV-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCC(=O)NC1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCCCCCCCC
CACTVS 3.370CCCCCCCCCC(=O)N[CH]1CCOC1=O
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCCCCCCCC(=O)N[C@H]1CCOC1=O
FormulaC14 H25 N O3
NameN-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide;
N-decanoyl-L-homoserine lactone
ChEMBLCHEMBL8799
DrugBank
ZINCZINC000042764633
PDB chain3qp8 Chain C Residue 3 [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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PDB3qp8 A strategy for antagonizing quorum sensing.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y80 W84 D97 I99 M100 W111 F115 M135 I153 S155
Binding residue
(residue number reindexed from 1)		Y74 W78 D91 I93 M94 W105 F109 M129 I147 S149
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links