Structure of PDB 6n9i Chain A Binding Site BS01

Receptor Information
>6n9i Chain A (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 IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain6n9i Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n9i The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H118 H120 H198 D220
Binding residue
(residue number reindexed from 1)		H111 H113 H191 D213
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:6n9i, PDBe:6n9i, PDBj:6n9i
PDBsum6n9i
PubMed30864300
UniProtA0A023DFE8

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