Structure of PDB 5fm0 Chain A Binding Site BS02
Receptor Information
>5fm0 Chain A (length=247) Species:
1423
(Bacillus subtilis) [
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TFYSVRMRASMNGSHGKHISGGERLIPFHEMKHTVNALLEKGLSHSRGKP
DFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSRDV
IEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEK
WALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAGKK
MGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEE
Ligand information
Ligand ID
PPV
InChI
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKey
XPPKVPWEQAFLFU-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)O
CACTVS 3.341
O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0
OP(=O)(O)OP(=O)(O)O
Formula
H4 O7 P2
Name
PYROPHOSPHATE
ChEMBL
CHEMBL1160571
DrugBank
DB04160
ZINC
ZINC000006827695
PDB chain
5fm0 Chain A Residue 1257 [
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Receptor-Ligand Complex Structure
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PDB
5fm0
Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Resolution
2.44 Å
Binding residue
(original residue number in PDB)
H26 S28 G29 K49 H53 R145 D196
Binding residue
(residue number reindexed from 1)
H18 S20 G21 K41 H45 R137 D188
Annotation score
5
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:5fm0
,
PDBe:5fm0
,
PDBj:5fm0
PDBsum
5fm0
PubMed
28414710
UniProt
P53559
|BIOW_BACSU 6-carboxyhexanoate--CoA ligase (Gene Name=bioW)
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