Structure of PDB 6n9r Chain X Binding Site BS03

Receptor Information
>6n9r Chain X (length=276) Species: 1220594 (Parageobacillus caldoxylosilyticus NBRC 107762) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARPKLYVMDNGRMRMDKNWMIAMHNPATIHNPNAQTEFVEFPIYTVLIDH
PEGKILFDTSCNPNSMGPQGRWAESTQQMFPWTATEECYLHNRLEQLKVR
PEDIRYVVASHLHLDHAGCLEMFTNATIIVHEDEFNGALQCYARNQKEGA
YIWADIDAWIKNNLQWRTVKRHEDNILLAEGVKVLNFGSGHAWGMLGLHV
ELPETGGIILASDAIYTAESYGPPIKPPGIIYDSLGYMNTVERIRRIAQE
TKSQVWFGHDAEQFKKFRKSTEGYYE
Ligand information
Ligand IDOHN
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyPHSRRHGYXQCRPU-AWEZNQCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
ACDLabs 10.04O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
FormulaC16 H27 N O4
NameN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
ChEMBLCHEMBL8483
DrugBankDB08324
ZINCZINC000008436851
PDB chain6n9r Chain X 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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PDB6n9r The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F87 D122 G156 H198 D220 Y223 I237 H266
Binding residue
(residue number reindexed from 1)		F80 D115 G149 H191 D213 Y216 I230 H259
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:6n9r, PDBe:6n9r, PDBj:6n9r
PDBsum6n9r
PubMed30864300
UniProtA0A023DFE8

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