Magnesium in PDB 2qxx: Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp

All present enzymatic activity of Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp:
3.5.4.13;

The structure of Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp, PDB code: 2qxx was solved by S.Christophersen, P.Harris, M.Willemoes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.58 / 2.00
Space group	R 3 2
Cell size a, b, c (Å), α, β, γ (°)	82.640, 82.640, 82.640, 70.75, 70.75, 70.75
R / Rfree (%)	16.1 / 21.7

The binding sites of Magnesium atom in the Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp (pdb code 2qxx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp, PDB code: 2qxx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:9.8 occ:1.00 O A:HOH265 2.0 17.9 1.0 O3G A:TTP201 2.0 14.8 1.0 O A:HOH239 2.0 11.4 1.0 O1A A:TTP201 2.0 15.2 1.0 O2B A:TTP201 2.1 11.2 1.0 PB A:TTP201 3.2 12.1 1.0 PA A:TTP201 3.2 14.9 1.0 PG A:TTP201 3.2 16.1 1.0 O3A A:TTP201 3.5 13.6 1.0 O3B A:TTP201 3.6 12.6 1.0 O A:HOH243 3.8 11.5 1.0 O1G A:TTP201 3.9 13.0 1.0 O A:HOH233 3.9 20.6 1.0 O2A A:TTP201 4.1 16.0 1.0 O A:HOH288 4.3 21.4 1.0 O5' A:TTP201 4.3 14.3 1.0 O2G A:TTP201 4.4 10.7 1.0 C5' A:TTP201 4.4 13.8 1.0 O1B A:TTP201 4.5 12.6 1.0 OD2 A:ASP119 4.6 16.9 1.0 CE1 A:TYR162 4.9 10.5 1.0

Magnesium binding site 2 out of 2 in the Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bifunctional Dctp Deaminase: Dutpase From Mycobacterium Tuberculosis in Complex with Dttp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:7.7 occ:1.00 O B:HOH247 2.0 17.6 1.0 O1A B:TTP201 2.0 12.2 1.0 O3G B:TTP201 2.1 14.6 1.0 O B:HOH229 2.1 3.1 1.0 O2B B:TTP201 2.1 10.9 1.0 O B:HOH268 2.1 12.0 1.0 PB B:TTP201 3.1 12.1 1.0 PA B:TTP201 3.2 12.6 1.0 PG B:TTP201 3.3 14.1 1.0 O3A B:TTP201 3.5 12.4 1.0 O3B B:TTP201 3.6 12.4 1.0 O B:HOH235 3.9 16.8 1.0 O B:HOH237 4.0 14.1 1.0 O1G B:TTP201 4.0 14.9 1.0 O B:HOH228 4.2 15.7 1.0 O2A B:TTP201 4.2 12.8 1.0 O5' B:TTP201 4.3 11.5 1.0 OD2 B:ASP119 4.4 19.3 1.0 C5' B:TTP201 4.4 12.1 1.0 O2G B:TTP201 4.5 10.4 1.0 O1B B:TTP201 4.5 13.3 1.0 CE1 B:TYR162 5.0 11.9 1.0

S.S.Helt, M.Thymark, P.Harris, C.Aagaard, J.Dietrich, S.Larsen, M.Willemoes. Mechanism of Dttp Inhibition of the Bifunctional Dctp Deaminase:Dutpase Encoded By Mycobacterium Tuberculosis. J.Mol.Biol. V. 376 554 2008.
ISSN: ISSN 0022-2836
PubMed: 18164314
DOI: 10.1016/J.JMB.2007.11.099