Structure of PDB 5g1f Chain B Binding Site BS02

Receptor Information
>5g1f Chain B (length=248) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EETFYSVRMRASMNKHISGGERLIPFHEMKHTVNALLEKGLSHSRGKPDF
MQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSRDVIE
KAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEKWA
LHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAGKKMG
YQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEEDHD
Ligand information
Ligand IDPML
InChIInChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKeyWLJVNTCWHIRURA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCC(=O)O
FormulaC7 H12 O4
NamePIMELIC ACID
ChEMBLCHEMBL1235351
DrugBankDB01856
ZINCZINC000001529489
PDB chain5g1f Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g1f The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R170 I171 Y199 T201 Y203 Y211 R213
Binding residue
(residue number reindexed from 1)		R160 I161 Y189 T191 Y193 Y201 R203
Annotation score5
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5g1f, PDBe:5g1f, PDBj:5g1f
PDBsum5g1f
PubMed
UniProtP53559|BIOW_BACSU 6-carboxyhexanoate--CoA ligase (Gene Name=bioW)

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