1slh: Difference between revisions
No edit summary |
No edit summary |
||
| Line 8: | Line 8: | ||
|GENE= DUT, RV2697C, MT2771, MTCY05A6.18C, MB2716C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis]) | |GENE= DUT, RV2697C, MT2771, MTCY05A6.18C, MB2716C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis]) | ||
|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=PRK00601 dut]</span> | |DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=PRK00601 dut]</span> | ||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1slh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1slh OCA], [http://www.ebi.ac.uk/pdbsum/1slh PDBsum | |RELATEDENTRY=[[1sm8|1sm8]], [[1smc|1smc]], [[1sjn|1sjn]], [[1six|1six]], [[1mq7|1mq7]] | ||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1slh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1slh OCA], [http://www.ebi.ac.uk/pdbsum/1slh PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1slh RCSB]</span> | |||
}} | }} | ||
| Line 52: | Line 53: | ||
[[Category: tbsgc]] | [[Category: tbsgc]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:43:40 2008'' | ||
Revision as of 23:43, 30 March 2008
| |||||||
| , resolution 3.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | DUT, RV2697C, MT2771, MTCY05A6.18C, MB2716C (Mycobacterium tuberculosis) | ||||||
| Activity: | dUTP diphosphatase, with EC number 3.6.1.23 | ||||||
| Domains: | dut | ||||||
| Related: | 1sm8, 1smc, 1sjn, 1six, 1mq7
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Mycobacterium tuberculosis dUTPase complexed with magnesium and dUDP
OverviewOverview
The structure of Mycobacterium tuberculosis dUTP nucleotidohydrolase (dUTPase) has been determined at 1.3 Angstrom resolution in complex with magnesium ion and the non-hydrolyzable substrate analog, alpha,beta-imido dUTP. dUTPase is an enzyme essential for depleting potentially toxic concentrations of dUTP in the cell. Given the importance of its biological role, it has been proposed that inhibiting M.tuberculosis dUTPase might be an effective means to treat tuberculosis infection in humans. The crystal structure presented here offers some insight into the potential for designing a specific inhibitor of the M.tuberculosis dUTPase enzyme. The structure also offers new insights into the mechanism of dUTP hydrolysis by providing an accurate representation of the enzyme-substrate complex in which both the metal ion and dUTP analog are included. The structure suggests that inclusion of a magnesium ion is important for stabilizing the position of the alpha-phosphorus for an in-line nucleophilic attack. In the absence of magnesium, the alpha-phosphate of dUTP can have either of the two positions which differ by 4.5 Angstrom. A transiently ordered C-terminal loop further assists catalysis by shielding the general base, Asp83, from solvent thus elevating its pK(a) so that it might in turn activate a tightly bound water molecule for nucleophilic attack. The metal ion coordinates alpha, beta, and gamma phosphate groups with tridentate geometry identical with that observed in the crystal structure of DNA polymerase beta complexed with magnesium and dNTP analog, revealing some common features in catalytic mechanism.
About this StructureAbout this Structure
1SLH is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.
ReferenceReference
Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism., Chan S, Segelke B, Lekin T, Krupka H, Cho US, Kim MY, So M, Kim CY, Naranjo CM, Rogers YC, Park MS, Waldo GS, Pashkov I, Cascio D, Perry JL, Sawaya MR, J Mol Biol. 2004 Aug 6;341(2):503-17. PMID:15276840
Page seeded by OCA on Sun Mar 30 23:43:40 2008
Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Mycobacterium tuberculosis
- Single protein
- DUTP diphosphatase
- Cascio, D.
- Chan, S.
- Cho, U S.
- Eisenberg, D.
- Kim, C Y.
- Kim, M Y.
- Krupka, H.
- Lekin, T.
- Naranjo, C M.
- Park, M S.
- Pashkov, I.
- Perry, J L.
- Rogers, Y C.
- Sawaya, M R.
- Segelke, B.
- So, M.
- TBSGC, TB Structural Genomics Consortium.
- Terwilliger, T C.
- Waldo, G S.
- Yeates, T O.
- Jelly-roll
- Protein structure initiative
- Psi
- Structural genomic
- Tb structural genomics consortium
- Tbsgc