Magnesium in PDB 3njl: D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5

The structure of D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5, PDB code: 3njl was solved by J.Osipiuk, R.Mulligan, M.Bargassa, F.Collart, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.20 / 1.75
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	100.151, 100.151, 100.216, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 17.2

The binding sites of Magnesium atom in the D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5 (pdb code 3njl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5, PDB code: 3njl:

Magnesium binding site 1 out of 1 in the D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of D116A Mutant of SO1698 Protein, An Aspartic Peptidase From Shewanella Oneidensis, at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:31.7 occ:1.00 O A:HOH244 1.9 10.7 1.0 O A:GLY71 1.9 29.8 1.0 OD1 A:ASP91 2.0 35.6 1.0 O A:HOH243 2.1 18.8 1.0 OD1 A:ASP74 2.1 26.8 1.0 OG1 A:THR93 2.2 31.0 1.0 CG A:ASP74 2.9 28.5 1.0 CG A:ASP91 3.0 36.8 1.0 OD2 A:ASP74 3.1 31.4 1.0 C A:GLY71 3.1 28.4 1.0 OD2 A:ASP91 3.2 39.5 1.0 CB A:THR93 3.3 35.8 1.0 CA A:GLY71 3.8 28.0 1.0 N A:THR93 3.9 37.5 1.0 O A:HOH197 3.9 26.1 1.0 O A:ILE72 4.0 30.8 1.0 O A:HOH185 4.2 23.0 1.0 N A:ILE72 4.2 28.2 1.0 CA A:THR93 4.2 36.8 1.0 C A:ILE72 4.3 29.0 1.0 CB A:ASP74 4.4 24.5 1.0 CB A:ASP91 4.4 35.6 1.0 OD1 A:ASP89 4.4 34.8 1.0 CG2 A:THR93 4.4 34.4 1.0 CA A:ILE72 4.4 29.0 1.0 O A:HOH228 4.4 30.1 1.0 N A:ASP91 4.6 34.4 1.0 N A:LYS92 4.6 37.1 1.0 C A:ASP91 4.6 37.6 1.0 CA A:ASP91 4.7 36.2 1.0 N A:ASP74 4.7 23.9 1.0 CA A:ASP74 4.8 24.1 1.0 C A:ILE73 4.9 24.2 1.0

J.Osipiuk, R.Mulligan, M.Bargassa, J.E.Hamilton, M.A.Cunningham, A.Joachimiak. Characterization of Member of DUF1888 Protein Family, Self-Cleaving and Self-Assembling Endopeptidase. J.Biol.Chem. V. 287 19452 2012.
ISSN: ISSN 0021-9258
PubMed: 22493430
DOI: 10.1074/JBC.M112.358069