Magnesium in PDB 2i5r: Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+

The structure of Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+, PDB code: 2i5r was solved by P.Rezacova, D.Borek, Z.Otwinowski, A.Joachimiak, S.F.Moy, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.90 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.667, 73.031, 114.922, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.8

The binding sites of Magnesium atom in the Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+ (pdb code 2i5r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+, PDB code: 2i5r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:22.5 occ:1.00 O A:HOH443 2.0 26.5 1.0 O A:HOH468 2.0 24.8 1.0 OD2 A:ASP58 2.1 21.4 1.0 OE2 A:GLU88 2.1 19.8 1.0 OD2 A:ASP60 2.1 21.0 1.0 O A:HOH442 2.2 27.4 1.0 CG A:ASP60 3.1 21.6 1.0 CG A:ASP58 3.2 19.3 1.0 CD A:GLU88 3.2 19.1 1.0 OD1 A:ASP60 3.4 22.3 1.0 CB A:ASP58 3.5 19.0 1.0 CG A:GLU88 3.7 19.0 1.0 O A:HOH416 3.9 35.9 1.0 O A:HOH420 4.1 26.3 1.0 OE1 A:GLU11 4.2 14.3 0.5 OE1 A:GLU88 4.3 22.9 1.0 O A:HOH461 4.3 49.9 1.0 OD1 A:ASP58 4.3 20.1 1.0 O A:HOH425 4.3 33.0 1.0 CB A:ASP60 4.4 21.4 1.0 O A:HOH460 4.5 47.1 1.0 O A:HOH462 4.6 41.5 1.0 OE1 A:GLU11 4.6 21.9 0.5 CB A:GLU88 4.7 17.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Small Toprim Domain-Containing Protein From B. Stearothermophilus in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:42.0 occ:1.00 O B:HOH414 2.1 26.3 1.0 OD2 B:ASP58 2.1 23.0 1.0 O B:HOH438 2.2 41.7 1.0 OD2 B:ASP60 2.2 23.1 1.0 CG B:ASP58 3.1 21.9 1.0 CG B:ASP60 3.2 22.0 1.0 OD1 B:ASP60 3.4 22.4 1.0 CB B:ASP58 3.5 19.8 1.0 OE2 B:GLU88 3.8 18.4 0.5 CG B:GLU88 4.0 17.9 1.0 OD1 B:ASP58 4.2 23.2 1.0 O B:HOH432 4.2 33.2 1.0 OE1 B:GLU11 4.3 24.6 1.0 CD B:GLU88 4.3 17.2 0.5 O B:HOH434 4.4 40.1 1.0 NH1 B:ARG87 4.5 21.9 1.0 CB B:ASP60 4.6 20.8 1.0 OE2 B:GLU11 4.7 24.5 1.0 CD B:GLU11 4.8 24.5 1.0 CB B:GLU88 5.0 16.9 1.0 CB B:ALA62 5.0 19.7 1.0 CA B:ASP58 5.0 20.0 1.0

P.Rezacova, D.Borek, S.F.Moy, A.Joachimiak, Z.Otwinowski. Crystal Structure and Putative Function of Small Toprim Domain-Containing Protein From Bacillus Stearothermophilus. Proteins V. 70 311 2007.
ISSN: ISSN 0887-3585
PubMed: 17705269
DOI: 10.1002/PROT.21511