Structure of PDB 6n9q Chain P Binding Site BS03

Receptor Information
>6n9q Chain P (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 IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6n9q Chain P Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D122 H123 D220 H266
Binding residue
(residue number reindexed from 1)		D116 H117 D214 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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