Structure of PDB 6cgz Chain A Binding Site BS04

Receptor Information
>6cgz Chain A (length=275) Species: 1356854 (Alicyclobacillus acidoterrestris ATCC 49025) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPKLYVMDNGRMRMDKNWMIAMHNPATIANPNAPTEFIEFPIYTVLIDHP
EGKILFDTSCNPDSMGAQGRWGEATQSMFPWTASEECYLHNRLEQLKVRP
EDIKFVIASHLHLDHAGCLEMFTNATIIVHEDEFSGALQTYARNQTEGAY
IWGDIDAWIKNNLNWRTIKRDEDNIVLAEGIKILNFGSGHAWGMLGLHVQ
LPEKGGIILASDAVYSAESYGPPIKPPGIIYDSLGFVRSVEKIKRIAKET
NSEVWFGHDSEQFKRFRKSTEGYYE
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 chain6cgz Chain A Residue 307 [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]
PDB6cgz Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H120 D122 A157 D220 Y223 H266
Binding residue
(residue number reindexed from 1)		H112 D114 A149 D212 Y215 H258
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.81: quorum-quenching N-acyl-homoserine lactonase.
External links