8B47

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a cyclic di-adenosine derivative

Summary for 8B47

• Entry DOI: 10.2210/pdb8b47/pdb
• Related: 7ZZ7
• Descriptor: NAD kinase 1, (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one, PENTAETHYLENE GLYCOL, ... (5 entities in total)
• Functional Keywords: tetrameric nad-kinase, transferase
• Biological source: Listeria monocytogenes EGD-e
• Total number of polymer chains: 2
• Total formula weight: 63950.17

Authors

Gelin, M.,Labesse, G. (deposition date: 2022-09-20, release date: 2023-01-11, Last modification date: 2024-01-31)

• Primary citation: Clement, D.A.,Gelin, M.,Leseigneur, C.,Huteau, V.,Mondange, L.,Pons, J.L.,Dussurget, O.,Lionne, C.,Labesse, G.,Pochet, S.; Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria.; Eur.J.Med.Chem., 246:114941-114941, 2023; PubMed: 36455355; DOI: 10.1016/j.ejmech.2022.114941

Experimental method

X-RAY DIFFRACTION (2.53 Å)