Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine

Summary for 3V80

Related2I2C 3V7V 3V7W 3V7Y 3V8M 3V8N 3V8P 3V8Q 3V8R
DescriptorProbable inorganic polyphosphate/ATP-NAD kinase 1, 5'-O-prop-2-yn-1-yladenosine, CITRIC ACID, ... (5 entities in total)
Functional Keywordsligand-screening by crystallography, two-domain kinase, inorganic polyphosphate/atp-nad kinase 1, transferase
Biological sourceListeria monocytogenes
Cellular locationCytoplasm  Q8Y8D7
Total number of polymer chains1
Total molecular weight31940.08
Gelin, M.,Poncet-Montange, G.,Assairi, L.,Morellato, L.,Huteau, V.,Dugu, L.,Dussurget, O.,Pochet, S.,Labesse, G. (deposition date: 2011-12-22, release date: 2012-03-14, Last modification date: 2017-11-08)
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
PubMed: 22608967 (PDB entries with the same primary citation)
DOI: 10.1016/j.str.2012.03.024
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2247 0.4% 3.6% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28