Structure of PDB 3qp1 Chain A Binding Site BS01

Receptor Information
>3qp1 Chain A (length=178) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRPLPAGLTASQQWTLLEWIHMAGHIETENELKAFLDQVLSQAPSERLLL
ALGRLNNQNQIQRLERVLNVSYPSDWLDQYMKENYAQHDPILRIHLGQGP
VMWEERFNRAKGAEEKRFIAEATQNGMGSGITFSAASERNNIGSILSIAG
REPGRNAALVAMLNCLTPHLHQAAIRVA
Ligand information
Ligand IDHL6
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyZJFKKPDLNLCPNP-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCC(=O)NC1CCOC1=O
CACTVS 3.370CCCCCC(=O)N[CH]1CCOC1=O
CACTVS 3.370
OpenEye OEToolkits 1.7.0
CCCCCC(=O)N[C@H]1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCCCC
FormulaC10 H17 N O3
NameN-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide;
N-hexanoyl-L-homoserine lactone
ChEMBLCHEMBL1615000
DrugBank
ZINCZINC000006655700
PDB chain3qp1 Chain A Residue 1 [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]
PDB3qp1 A strategy for antagonizing quorum sensing.
Resolution1.55 Å
Binding residue
(original residue number in PDB)
Y80 W84 Y88 D97 I99 L100 W111 F115 M135 S155
Binding residue
(residue number reindexed from 1)
Y72 W76 Y80 D89 I91 L92 W103 F107 M127 S147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links