6AHE

Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252

Summary for 6AHE

• Entry DOI: 10.2210/pdb6ahe/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, ... (4 entities in total)
• Functional Keywords: fabi, acinetobacter baumannii, nad, afn-1252, inhibitor complex, oxidoreductase
• Biological source: Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841 (Acinetobacter baumannii ATCC 19606)
• Total number of polymer chains: 4
• Total formula weight: 118806.43

Authors

Rani, S.T.,Nataraj, V.,Laxminarasimhan, A.,Thomas, A.,Krishnamurthy, N. (deposition date: 2018-08-17, release date: 2019-08-21, Last modification date: 2023-11-22)

• Primary citation: Rao, N.K.,Nataraj, V.,Ravi, M.,Panchariya, L.,Palai, K.,Talapati, S.R.,Lakshminarasimhan, A.,Ramachandra, M.,Antony, T.; Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies.; Chem.Biol.Drug Des., 96:704-713, 2020; PubMed: 32227402; DOI: 10.1111/cbdd.13686

Experimental method

X-RAY DIFFRACTION (2.29 Å)