Magnesium in PDB 3dev: Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87

The structure of Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87, PDB code: 3dev was solved by F.Forouhar, H.Neely, J.Seetharaman, L.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, D.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 3.10
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	106.087, 106.087, 86.092, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 24.5

The binding sites of Magnesium atom in the Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87 (pdb code 3dev). 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 SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87, PDB code: 3dev:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87


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 SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg323 b:27.7 occ:1.00 OD1 A:ASP29 2.5 41.4 1.0 NE2 A:HIS106 2.6 73.0 1.0 OD2 A:ASP83 2.6 74.5 1.0 OD1 A:ASP158 3.0 60.0 1.0 CG A:ASP83 3.2 77.1 1.0 CE1 A:HIS106 3.2 72.9 1.0 OD1 A:ASP83 3.3 74.6 1.0 CG A:ASP29 3.4 50.5 1.0 OD2 A:ASP158 3.5 65.4 1.0 CG A:ASP158 3.5 64.8 1.0 CB A:ASP29 3.6 54.8 1.0 CD2 A:HIS106 3.6 69.2 1.0 OD2 A:ASP27 4.2 80.4 1.0 NE2 A:HIS107 4.3 83.4 1.0 OG1 A:THR126 4.3 56.7 1.0 OD1 A:ASP27 4.3 74.1 1.0 ND1 A:HIS106 4.3 71.5 1.0 N A:THR126 4.5 47.6 1.0 CB A:ASP83 4.5 78.9 1.0 OD2 A:ASP29 4.6 44.7 1.0 CG A:HIS106 4.6 69.7 1.0 N A:ALA30 4.6 55.7 1.0 CG A:ASP27 4.7 75.5 1.0 CB A:THR126 4.8 53.8 1.0 NE2 A:HIS23 4.8 93.6 1.0 CB A:ASP158 4.9 62.2 1.0 CA A:ASP29 4.9 56.5 1.0 CE1 A:HIS107 4.9 81.7 1.0 CA A:SER125 5.0 41.1 1.0 C A:ASP29 5.0 59.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87


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 SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg322 b:28.1 occ:1.00 NE2 B:HIS106 2.5 69.0 1.0 OD1 B:ASP29 2.6 45.9 1.0 OD2 B:ASP83 2.6 77.0 1.0 OD1 B:ASP158 3.0 56.0 1.0 CG B:ASP83 3.2 77.5 1.0 OD1 B:ASP83 3.2 74.5 1.0 CE1 B:HIS106 3.2 71.3 1.0 OD2 B:ASP158 3.5 59.0 1.0 CG B:ASP29 3.5 50.8 1.0 CG B:ASP158 3.6 61.3 1.0 CD2 B:HIS106 3.6 65.9 1.0 CB B:ASP29 3.7 55.9 1.0 NE2 B:HIS107 4.1 83.2 1.0 OD2 B:ASP27 4.2 83.1 1.0 OD1 B:ASP27 4.3 72.6 1.0 OG1 B:THR126 4.4 58.7 1.0 ND1 B:HIS106 4.4 67.3 1.0 CB B:ASP83 4.5 77.6 1.0 N B:THR126 4.6 49.4 1.0 CG B:HIS106 4.6 66.8 1.0 CG B:ASP27 4.6 76.7 1.0 N B:ALA30 4.7 56.3 1.0 OD2 B:ASP29 4.7 52.7 1.0 NE2 B:HIS23 4.7 92.2 1.0 CE1 B:HIS107 4.8 84.9 1.0 CB B:THR126 4.9 55.0 1.0 CD2 B:HIS107 5.0 64.5 1.0 CB B:ASP158 5.0 60.5 1.0

F.Forouhar, H.Neely, J.Seetharaman, L.Mao, R.Xiao, C.Ciccosanti, E.L.Foote, D.Wang, J.K.Everett, T.B.Acton, G.T.Montelione, L.Tong, J.F.Hunt. Crystal Structure of SH1221 Protein From Staphylococcus Haemolyticus, Northeast Structural Genomics Consortium Target SHR87 To Be Published.