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Ligands
Code Name Style Show Link
F1D Methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate
SO4 Sulfate ion
PEG Di(hydroxyethyl)ether
PG4 Tetraethylene glycol
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Code : 6CHN   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/ANTIBIOTIC
Title : Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate
Release Data : 2018-04-04
Compound :
mol_id molecule chains synonym
1 Phosphopantetheine adenylyltransferase A,B Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT
ec: 2.7.7.3
Source :
mol_id organism_scientific expression_system
1 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli  (taxid:562)
strain: K12
gene: coaD, kdtB, yicA, b3634, JW3609
Authors : Mamo, M., Appleton, B.A.
Keywords : Dephospho-CoA pyrophosphorylase, Pantetheine-phosphate adenylyltransferase, PPAT CaaD, FBDD Gram-negative antibacterial antibiotic, Transferase Transferase-antibiotic complex, TRANSFERASE-ANTIBIOTIC complex
Exp. method : X-RAY DIFFRACTION ( 2.0300 Å )
Citation :

Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.

Skepper, C.K.,Moreau, R.J.,Appleton, B.A.  et al.
(2018)  J. Med. Chem.  61 : 3325 - 3349

PubMed: 29551072
DOI: 10.1021/acs.jmedchem.7b01861

Chain : A, B
UniProt : P0A6I6 (COAD_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
(R)-4'-phosphopantetheine + ATP + H(+) = 3'-dephospho-CoA + diphosphate 2.7.7.3 HAMAP- Rule:MF_00151, PubMed:10480925, PubMed:17873050
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