Magnesium in PDB 2cic: The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp

The structure of The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp, PDB code: 2cic was solved by O.V.Moroz, M.Harkiolaki, D.Gonzalez-Pacanowska, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.397, 93.397, 143.634, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.6

The binding sites of Magnesium atom in the The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp (pdb code 2cic). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp, PDB code: 2cic:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1969 b:20.8 occ:1.00 O A:HOH2475 2.3 52.8 1.0 O1A A:DUP1968 2.4 20.3 1.0 O2B A:DUP1968 2.4 23.0 1.0 OE2 A:GLU46 2.5 17.2 1.0 O A:HOH2477 2.7 64.1 1.0 OE1 A:GLU46 3.0 17.6 1.0 O A:HOH2470 3.0 38.8 1.0 CD A:GLU46 3.1 16.6 1.0 O A:HOH2135 3.2 0.5 1.0 MG A:MG1970 3.4 23.7 1.0 PA A:DUP1968 3.5 18.6 1.0 PB A:DUP1968 3.6 20.6 1.0 N3A A:DUP1968 3.7 24.1 1.0 O1G A:DUP1968 4.0 23.9 0.5 C5' A:DUP1968 4.0 17.5 1.0 O A:HOH2472 4.0 48.0 1.0 O A:HOH2136 4.0 17.1 1.0 O5' A:DUP1968 4.2 18.0 1.0 CG A:GLU49 4.3 22.5 1.0 O3B A:DUP1968 4.4 25.0 1.0 CG A:GLU46 4.6 14.8 1.0 O A:HOH2469 4.7 39.1 1.0 PG A:DUP1968 4.8 26.5 0.5 O2A A:DUP1968 4.8 22.5 1.0 O1B A:DUP1968 4.8 19.5 1.0 O A:HOH2143 4.9 51.7 1.0 CB A:GLU49 5.0 18.7 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of A Complex of Campylobacter Jejuni Dutpase with Substrate Analogue Dupnhpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1970 b:23.7 occ:1.00 O2B A:DUP1968 2.3 23.0 1.0 OE2 A:GLU74 2.3 17.1 1.0 OD2 A:ASP77 2.4 18.1 1.0 OE1 A:GLU46 2.4 17.6 1.0 O A:HOH2469 2.6 39.1 1.0 O A:HOH2213 2.8 33.9 1.0 O A:HOH2472 3.0 48.0 1.0 CD A:GLU74 3.1 20.5 1.0 OE1 A:GLU74 3.3 18.3 1.0 PB A:DUP1968 3.4 20.6 1.0 CD A:GLU46 3.4 16.6 1.0 CG A:ASP77 3.4 18.9 1.0 MG A:MG1969 3.4 20.8 1.0 O A:HOH2211 3.7 35.5 1.0 O A:HOH2475 3.7 52.8 1.0 O3B A:DUP1968 3.9 25.0 1.0 OE2 A:GLU46 3.9 17.2 1.0 O1B A:DUP1968 3.9 19.5 1.0 O A:HOH2135 4.0 0.5 1.0 O A:HOH2142 4.1 56.5 1.0 CB A:ASP77 4.1 15.7 1.0 OD1 A:ASP77 4.3 19.4 1.0 O A:HOH2477 4.3 64.1 1.0 O1G A:DUP1968 4.4 23.9 0.5 CG A:GLU74 4.4 16.4 1.0 NZ A:LYS175 4.5 18.4 1.0 CG A:GLU46 4.6 14.8 1.0 PG A:DUP1968 4.7 26.5 0.5 O A:HOH2474 4.7 39.2 1.0 N3A A:DUP1968 4.8 24.1 1.0 O3G A:DUP1968 4.8 24.7 0.5 CB A:GLU49 4.8 18.7 1.0 CA A:GLU74 5.0 16.6 1.0 CG2 A:ILE73 5.0 20.3 0.3

G.R.Hemsworth, O.V.Moroz, M.J.Fogg, B.Scott, C.Bosch-Navarrete, D.Gonzalez-Pacanowska, K.S.Wilson. The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem. V. 286 16470 2011.
ISSN: ISSN 0021-9258
PubMed: 21454646
DOI: 10.1074/JBC.M111.224873