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Target
Biotin carboxylase
Ligand
BDBM32647
Substrate
Biotinyl-BCCP
Meas. Tech.
ACCase-Coupled Enzyme Assay
pH
8.0000±n/a
Temperature
296.1500±n/a K
IC50
334±n/a nM
Citation
 Mochalkin, I; Miller, JR; Narasimhan, L; Thanabal, V; Erdman, P; Cox, PB; Prasad, JV; Lightle, S; Huband, MD; Stover, CK Discovery of antibacterial biotin carboxylase inhibitors by virtual screening and fragment-based approaches. ACS Chem Biol 4:473-83 (2009) [PubMed]  Article 
Target
Name:
Biotin carboxylase
Synonyms:
ACC | Acetyl-CoA carboxylase subunit A | ACCC_ECOLI | accC | fabG
Type:
A component of the acetyl coenzyme A carboxylase complex
Mol. Mass.:
49324.23
Organism:
Escherichia coli (strain K12)
Description:
The accC gene was amplified by PCR from E. coli genomic DNA. The recombinant protein was expressed and purified from E. coli.
Residue:
449
Sequence:
MLDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADETVCIGPAPSVKSYLNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVERSGFIFIGPKAETIRLMGDKVSAIAAMKKAGVPCVPGSDGPLGDDMDKNRAIAKRIGYPVIIKASGGGGGRGMRVVRGDAELAQSISMTRAEAKAAFSNDMVYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVVEEAPAPGITPELRRYIGERCAKACVDIGYRGAGTFEFLFENGEFYFIEMNTRIQVEHPVTEMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTFLPSPGKITRFHAPGGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDVAIARMKNALQELIIDGIKTNVDLQIRIMNDENFQHGGTNIHYLEKKLGLQEK
  
Inhibitor
Name:
BDBM32647
Synonyms:
amino pyrimidine, 6b
Type:
Small organic molecule
Emp. Form.:
C15H13Cl2N5
Mol. Mass.:
333.05
SMILES:
Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Biotinyl-BCCP
Synonyms:
Biotin carboxyl carrier protein of acetyl-CoA carboxylase | BCCP_ECOLI | accB | fabE
Type:
biotin binding protein
Mol. Mass.:
16678.47
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
156
Sequence:
MDIRKIKKLIELVEESGISELEISEGEESVRISRAAPAASFPVMQQAYAAPMMQQPAQSNAAAPATVPSMEAPAAAEISGHIVRSPMVGTFYRTPSPDAKAFIEVGQKVNVGDTLCIVEAMKMMNQIEADKSGTVKAILVESGQPVEFDEPLVVIE