Structural highlights
3iom is a 2 chain structure with sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| Ligands: | , |
| Related: | 1g2o |
| Gene: | deoD, MT3406, MTV016.06, punA, punA (deoD) (Rv3307) (MT3406) (MTV016.06), Rv3307 (Mycobacterium tuberculosis) |
| Activity: | Purine-nucleoside phosphorylase, with EC number 2.4.2.1 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Publication Abstract from PubMed
This work describes for the first time the structure of purine nucleoside phosphorylase from Mycobacterium tuberculosis (MtPNP) in complex with sulfate and its natural substrate, 2'-deoxyguanosine, and its application to virtual screening. We report docking studies of a set of molecules against this structure. Application of polynomial empirical scoring function was able to rank docking solutions with good predicting power which opens the possibility to apply this new criterion to analyze docking solutions and screen small-molecule databases for new chemical entities to inhibit MtPNP.
Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis.,Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr Bioorg Med Chem. 2010 May 10. PMID:20570524[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Ducati RG, Basso LA, Santos DS, de Azevedo WF Jr. Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis. Bioorg Med Chem. 2010 May 10. PMID:20570524 doi:10.1016/j.bmc.2010.05.009
