3V8P
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine inhibitor formed in situ
Summary for 3V8P
Entry DOI | 10.2210/pdb3v8p/pdb |
Related | 2I2C 3V7V 3V7W 3V7Y 3V80 3V8M 3V8N 3V8Q 3V8R |
Descriptor | Probable inorganic polyphosphate/ATP-NAD kinase 1, CITRIC ACID, 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide, ... (4 entities in total) |
Functional Keywords | ligand-screening by crystallography, two-domain kinase, inorganic polyphosphate/atp-nad kinase 1, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Listeria monocytogenes |
Total number of polymer chains | 1 |
Total formula weight | 31946.89 |
Authors | Gelin, M.,Poncet-Montange, G.,Assairi, L.,Morellato, L.,Huteau, V.,Dugu, L.,Dussurget, O.,Pochet, S.,Labesse, G. (deposition date: 2011-12-23, release date: 2012-03-14, Last modification date: 2024-05-15) |
Primary citation | Gelin, M.,Poncet-Montange, G.,Assairi, L.,Morellato, L.,Huteau, V.,Dugue, L.,Dussurget, O.,Pochet, S.,Labesse, G. Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20:1107-1117, 2012 Cited by PubMed: 22608967DOI: 10.1016/j.str.2012.03.024 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2901 Å) |
Structure validation
Download full validation report