Structure of PDB 3qp4 Chain A Binding Site BS01

Receptor Information
>3qp4 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 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 chain3qp4 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

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PDB3qp4 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