Structure of PDB 8qws Chain A Binding Site BS02

Receptor Information
>8qws Chain A (length=286) Species: 67327 (Streptomyces melanosporofaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIGRSSVRPYLEECTRRFQEMFDRHVVTRPTKVELTDAELREVIDDCNAA
VAPLGKTVSDERWISYVGLVLWSQSPRHIKDMEAFKAVCVLNCVTFVWDD
MDPALHDFGLFLPQLRKICEKYYGPEDAEVAYEAARAFVTSDHMFRDSPI
KAALCTTSPEQYFRFRVTDIGVDFWMKMSYPIYRHPEFTEHAKTSLAARM
TTRGLTIVNDFYSYDREVSLGQITNCFRLCDVSDETAFKEFFQARLDDMI
EDIECIKAFDQLTQDVFLDLIYGNFVWTTSNKRYKT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8qws Chain A Residue 403 [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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PDB8qws Crystal structure of CotB2 variant V80L in complex with alendronate
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N220 S224 E228
Binding residue
(residue number reindexed from 1)		N209 S213 E217
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.146: cyclooctat-9-en-7-ol synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8qws, PDBe:8qws, PDBj:8qws
PDBsum8qws
PubMed
UniProtC9K1X5|COTB2_STRMJ Cyclooctat-9-en-7-ol synthase (Gene Name=CotB2)

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