Introduction: Nucleoside Monophosphate Kinases (NMPK) convert monophosphate nucleosides to diphosphate nucleosides. The reaction involves binding of both ATP (adenosine triphosphate) and monophosphate nucleoside, post-sequential transfer of a phosphate from ATP to monophosphate nucleoside and then release of ADP (adenosine diphosphate) and diphosphate nucleoside. The function of NMP Kinases is clearly very important then, since the active forms of nucleosides in biosynthesis and energy conversions are di- and triphosphates. The importance of the NMP Kinases is demonstrated by their control of essential gene regulation, signal transduction and metabolism processes all of which make these enzymes attractive targets for drug development. There are five different families of NMP Kinases, categorized by the nucleoside they bind, each family containing approximately 100 known members. These include adenylate (AMPK/118 members), guanylate (GMPK/ 105 members), uridylate (UMPK/ 71 members), cytidylate (CMPK/ 67 members) and thymidylate (TMPK/ 94 members) kinases. However while many sequences exist, only few 3D structures were experimentally determined. Thus, our goal is to predict the structures of all members of these families and to use the structures to calculate specific biophysical properties.

The web server is a collection of models of 3D structures of all Bacterial Nucleoside Monophosphate Kinases (NMPK), their pre-computed properties and other relevant information. The web server provides information in regard to sequence identity, 3D structure, Enzyme Commission (EC) number, pKa, desolvation penalty, interaction energy with permanent dipoles and the net charge of folded and unfolded states as a function of pH. A detailed description of the methods used to pre-compute these quantities can be found here. We also have implemented a search engine using collection of home-made JavaScripts and PERL programs. The detailed description of how use the database can be found here.. Access to the database is free of charge and users are given an option of sending suggestions and comments to the database authors.