Structure of PDB 5fll Chain A Binding Site BS03

Receptor Information
>5fll Chain A (length=251) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EETFYSVRMRASMNGSGGKHISGGERLIPFHEMKHTVNALLEKGLSHSRG
KPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSR
DVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANF
EKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAG
KKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEED
H
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 chain5fll Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fll Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		D195 D196
Binding residue
(residue number reindexed from 1)		D189 D190
Annotation score1
Enzymatic activity
Enzyme Commision number 6.2.1.14: 6-carboxyhexanoate--CoA ligase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042410 6-carboxyhexanoate-CoA ligase activity
Biological Process
GO:0009102 biotin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5fll, PDBe:5fll, PDBj:5fll
PDBsum5fll
PubMed28414710
UniProtP53559|BIOW_BACSU 6-carboxyhexanoate--CoA ligase (Gene Name=bioW)

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