6BUV

Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate

Summary for 6BUV

Entry DOI	10.2210/pdb6buv/pdb
Descriptor	nicotinate mononucleotide adenylyltransferase NadD, SODIUM ION, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	rossman fold, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Mycobacterium tuberculosis More
Total number of polymer chains	2
Total formula weight	45340.39
Authors	Rodionova, I.A.,Reed, R.W.,Sorci, L.,Osterman, A.L.,Korotkov, K.V. (deposition date: 2017-12-11, release date: 2018-12-12, Last modification date: 2023-10-04)
Primary citation	Osterman, A.L.,Rodionova, I.,Li, X.,Sergienko, E.,Ma, C.T.,Catanzaro, A.,Pettigrove, M.E.,Reed, R.W.,Gupta, R.,Rohde, K.H.,Korotkov, K.V.,Sorci, L. Novel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase. Acs Chem.Biol., 14:949-958, 2019 Cited by PubMed: 30969758 DOI: 10.1021/acschembio.9b00124 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.86 Å)

Structure validation