Magnesium in PDB 3hy2: Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+

All present enzymatic activity of Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+:
1.11.1.15; 1.8.98.2;

The structure of Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+, PDB code: 3hy2 was solved by T.J.Jonsson, L.C.Johnson, W.T.Lowther, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.38 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.330, 92.410, 131.850, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.3

The binding sites of Magnesium atom in the Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+ (pdb code 3hy2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+, PDB code: 3hy2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg207 b:20.2 occ:1.00 O1A X:ATP1 2.0 26.5 1.0 O A:HOH248 2.0 15.5 1.0 O A:HOH245 2.1 15.1 1.0 O1G X:ATP1 2.2 18.6 1.0 O2B X:ATP1 2.2 21.0 1.0 O X:HOH140 2.2 21.1 1.0 PA X:ATP1 3.2 25.2 1.0 PB X:ATP1 3.3 19.4 1.0 PG X:ATP1 3.4 20.5 1.0 O3A X:ATP1 3.4 20.8 1.0 OD2 A:ASP52 3.6 27.9 1.0 O2G X:ATP1 3.8 22.1 1.0 O3B X:ATP1 3.8 19.4 1.0 O5' X:ATP1 3.9 25.8 1.0 NH2 X:ARG101 4.1 17.1 1.0 O A:HOH317 4.2 29.3 1.0 O A:LYS93 4.2 24.3 1.0 OD1 A:ASP52 4.3 23.7 1.0 O A:LYS92 4.3 22.6 1.0 O X:HOH194 4.3 30.3 1.0 CG A:ASP52 4.4 22.4 1.0 O2A X:ATP1 4.4 28.4 1.0 CA A:LYS93 4.4 24.7 1.0 N X:GLY98 4.5 18.8 1.0 C A:LYS93 4.6 23.8 1.0 O1B X:ATP1 4.6 21.8 1.0 O3G X:ATP1 4.7 20.0 1.0 CA X:GLY98 4.9 18.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and Atp:MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg207 b:24.1 occ:1.00 O1A Y:ATP2 2.0 22.6 1.0 O B:HOH282 2.1 28.6 1.0 O1G Y:ATP2 2.1 22.0 1.0 O B:HOH275 2.1 17.6 1.0 O Y:HOH138 2.2 26.8 1.0 O2B Y:ATP2 2.2 19.6 1.0 PA Y:ATP2 3.2 21.0 1.0 PB Y:ATP2 3.2 20.4 1.0 PG Y:ATP2 3.3 21.3 1.0 O3A Y:ATP2 3.4 21.6 1.0 OD2 B:ASP52 3.5 30.5 1.0 O3B Y:ATP2 3.7 19.1 1.0 O2G Y:ATP2 3.8 22.9 1.0 O5' Y:ATP2 4.0 23.1 1.0 NH2 Y:ARG101 4.2 17.7 1.0 OD1 B:ASP52 4.2 28.3 1.0 CG B:ASP52 4.3 25.2 1.0 O B:LYS93 4.3 28.5 1.0 O B:LYS92 4.4 24.6 1.0 N Y:GLY98 4.4 20.0 1.0 O2A Y:ATP2 4.4 24.9 1.0 CA B:LYS93 4.6 28.6 1.0 O3G Y:ATP2 4.6 20.4 1.0 O1B Y:ATP2 4.6 19.4 1.0 C B:LYS93 4.7 28.3 1.0 CA Y:GLY98 4.9 18.4 1.0 O B:HOH316 4.9 33.0 1.0

T.J.Jonsson, L.C.Johnson, W.T.Lowther. Protein Engineering of the Quaternary Sulfiredoxin-Peroxiredoxin Enzyme-Substrate Complex Reveals the Molecular Basis For Cysteine Sulfinic Acid Phosphorylation J.Biol.Chem. V. 284 33305 2009.
ISSN: ISSN 0021-9258
PubMed: 19812042
DOI: 10.1074/JBC.M109.036400