Structure of PDB 6n9q Chain D Binding Site BS02

Receptor Information
>6n9q Chain D (length=277) Species: 1220594 (Parageobacillus caldoxylosilyticus NBRC 107762) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KARPKLYVMDNGRMRMDKNWMIAMHNPATIHNPNAQTEFVEFPIYTVLID
HPEGKILFDTSCNPNSMGPQGRWAESTQQMFPWTATEECYLHNRLEQLKV
RPEDIRYVVASHLHLDHAGCLEMFTNATIIVHEDEFNGALQCYARNQKEG
AYIWADIDAWIKNNLQWRTVKRHEDNILLAEGVKVLNFGSGHAWGMLGLH
VELPETGGIILASDAIYTAESYGPPIKPPGIIYDSLGYMNTVERIRRIAQ
ETKSQVWFGHDAEQFKKFRKSTEGYYE
Ligand information
Ligand IDHL4
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyVFFNZZXXTGXBOG-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCC(=O)NC1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCC
CACTVS 3.370CCCC(=O)N[CH]1CCOC1=O
FormulaC8 H13 N O3
NameN-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide;
N-butyryl-L-homoserine lactone
ChEMBLCHEMBL207316
DrugBank
ZINCZINC000004102230
PDB chain6n9q Chain D Residue 305 [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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PDB6n9q The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		F48 H120 D122 H198 D220 Y223 H266
Binding residue
(residue number reindexed from 1)		F42 H114 D116 H192 D214 Y217 H260
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.81: quorum-quenching N-acyl-homoserine lactonase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6n9q, PDBe:6n9q, PDBj:6n9q
PDBsum6n9q
PubMed30864300
UniProtA0A023DFE8

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