Magnesium in PDB 1gut: Mopii From Clostridium Pasteurianum (APO2)

The structure of Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.961, 82.328, 57.031, 90.00, 93.44, 90.00
R / Rfree (%)	17.8 / 22.2

The structure of Mopii From Clostridium Pasteurianum (APO2) also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Magnesium atom in the Mopii From Clostridium Pasteurianum (APO2) (pdb code 1gut). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mopii From Clostridium Pasteurianum (APO2), PDB code: 1gut:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1071 b:21.6 occ:1.00 O F:HOH2069 2.2 27.5 1.0 O D:HOH2067 2.2 26.3 1.0 O E:HOH2060 2.3 25.9 1.0 OD1 C:ASP63 2.5 11.6 1.0 OD1 A:ASP63 2.5 12.4 1.0 OD1 B:ASP63 2.5 12.4 1.0 O C:HOH2063 3.3 22.2 1.0 O A:HOH2059 3.4 23.8 1.0 O B:HOH2061 3.4 23.5 1.0 MG D:MG1070 3.4 21.7 1.0 CG A:ASP63 3.5 9.9 1.0 CG C:ASP63 3.5 10.5 1.0 CG B:ASP63 3.5 10.7 1.0 O B:HOH2059 3.8 18.0 1.0 OD2 A:ASP63 3.8 10.9 1.0 O A:HOH2058 3.8 18.8 1.0 O C:HOH2060 3.9 18.8 1.0 OD2 B:ASP63 3.9 11.0 1.0 OD2 C:ASP63 3.9 11.1 1.0 OD1 D:ASP63 4.1 13.1 1.0 OD2 D:ASP63 4.1 12.3 1.0 OD1 F:ASP63 4.1 13.1 1.0 OD2 E:ASP63 4.1 11.9 1.0 OD2 F:ASP63 4.2 11.6 1.0 OD1 E:ASP63 4.2 12.3 1.0 CG D:ASP63 4.5 11.7 1.0 CG F:ASP63 4.5 11.1 1.0 CG E:ASP63 4.5 10.5 1.0 CB A:ASP63 4.7 9.7 1.0 CB C:ASP63 4.7 9.8 1.0 CB B:ASP63 4.8 10.5 1.0

Magnesium binding site 2 out of 2 in the Mopii From Clostridium Pasteurianum (APO2)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mopii From Clostridium Pasteurianum (APO2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1070 b:21.7 occ:1.00 O E:HOH2058 2.3 19.7 1.0 O D:HOH2065 2.4 17.7 1.0 O F:HOH2068 2.5 19.1 1.0 OD1 D:ASP63 2.5 13.1 1.0 O E:HOH2060 2.6 25.9 1.0 OD1 E:ASP63 2.6 12.3 1.0 OD1 F:ASP63 2.6 13.1 1.0 O D:HOH2067 2.7 26.3 1.0 O F:HOH2069 2.8 27.5 1.0 MG A:MG1071 3.4 21.6 1.0 CG D:ASP63 3.5 11.7 1.0 CG E:ASP63 3.6 10.5 1.0 CG F:ASP63 3.6 11.1 1.0 OD2 D:ASP63 3.7 12.3 1.0 OD2 E:ASP63 3.7 11.9 1.0 OD2 F:ASP63 3.8 11.6 1.0 OG1 D:THR62 4.8 11.6 1.0 OG1 E:THR62 4.8 12.1 1.0 CB D:ASP63 4.9 9.4 1.0 O D:THR62 4.9 9.8 1.0 OD1 C:ASP63 4.9 11.6 1.0 OG1 F:THR62 4.9 12.1 1.0 OD1 A:ASP63 4.9 12.4 1.0 CE E:LYS60 4.9 10.7 1.0 OD1 B:ASP63 4.9 12.4 1.0 CB E:ASP63 4.9 9.1 1.0 O F:THR62 5.0 9.9 1.0 CB F:ASP63 5.0 9.8 1.0 O E:THR62 5.0 10.6 1.0 CE D:LYS60 5.0 11.3 1.0

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200