Magnesium in PDB 3oo1: Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate

The structure of Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate, PDB code: 3oo1 was solved by R.M.Immormino, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.240, 52.952, 37.321, 90.00, 96.12, 90.00
R / Rfree (%)	16 / 19.9

The binding sites of Magnesium atom in the Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate (pdb code 3oo1). 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 E. Coli Chey Mutant A113P in the Absence of Sulfate, PDB code: 3oo1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg130 b:15.7 occ:1.00 OD2 A:ASP57 2.2 24.3 1.0 O A:ASN59 2.3 22.8 1.0 OD1 A:ASP13 2.4 23.1 1.0 O A:HOH173 2.5 27.6 1.0 O A:HOH262 2.6 37.1 1.0 O A:HOH212 2.6 35.4 1.0 O A:HOH352 2.8 42.0 1.0 CG A:ASP13 3.4 27.0 1.0 CG A:ASP57 3.4 23.4 1.0 C A:ASN59 3.5 21.8 1.0 OD2 A:ASP13 3.6 32.7 1.0 O A:HOH198 3.8 29.3 1.0 OD1 A:ASP57 4.0 24.2 1.0 OD1 A:ASP12 4.0 22.5 1.0 CA A:ASN59 4.3 23.5 0.4 CA A:ASN59 4.3 23.5 0.6 CB A:ASN59 4.4 30.0 0.4 CB A:ASN59 4.4 30.0 0.6 CG A:MET60 4.4 17.8 1.0 N A:MET60 4.5 21.1 1.0 N A:ASN59 4.5 24.2 1.0 CB A:ASP57 4.5 16.8 1.0 O A:HOH364 4.6 43.6 1.0 O A:HOH233 4.6 36.5 1.0 CA A:MET60 4.6 23.4 1.0 CB A:ASP13 4.8 18.4 1.0 N A:ASP13 4.8 22.0 1.0 CG A:ASN59 4.8 28.9 0.4 CG A:ASP12 4.9 19.5 1.0 NZ A:LYS109 4.9 41.5 1.0 O A:HOH438 4.9 51.7 1.0

Magnesium binding site 2 out of 2 in the Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of E. Coli Chey Mutant A113P in the Absence of Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg130 b:10.6 occ:1.00 OD2 B:ASP57 2.3 20.4 1.0 O B:ASN59 2.4 17.0 1.0 OD1 B:ASP13 2.4 18.0 1.0 O B:HOH165 2.5 22.7 1.0 O B:HOH136 2.5 18.9 1.0 O B:HOH155 2.5 21.4 1.0 OD1 B:ASP12 2.5 19.2 1.0 CG B:ASP57 3.3 15.9 1.0 CG B:ASP13 3.5 21.2 1.0 C B:ASN59 3.5 14.9 1.0 CG B:ASP12 3.6 20.0 1.0 OD2 B:ASP13 3.9 24.0 1.0 OD2 B:ASP12 3.9 25.2 1.0 CB B:ASP57 4.1 12.2 1.0 OD1 B:ASP57 4.1 19.2 1.0 O B:HOH210 4.2 35.8 1.0 CG B:MET60 4.3 16.0 1.0 CA B:ASN59 4.3 17.1 1.0 CB B:ASN59 4.4 23.2 1.0 N B:ASP13 4.4 15.2 1.0 N B:ASN59 4.4 15.3 1.0 O B:HOH257 4.4 36.5 1.0 N B:MET60 4.6 16.0 1.0 O B:HOH261 4.6 38.2 1.0 NZ B:LYS109 4.7 33.0 1.0 CD2 B:PHE14 4.7 19.9 1.0 CA B:MET60 4.8 16.1 1.0 O B:HOH206 4.8 34.4 1.0 CB B:ASP13 4.8 18.3 1.0 O B:HOH250 4.8 37.1 1.0 O B:HOH374 4.9 46.1 1.0 CB B:ASP12 4.9 16.1 1.0

R.M.Immormino, L.S.Mcdonald, A.L.Lee, R.B.Bourret. Exploring the Effect of An Allosteric Site on Conformational Coupling in Chey To Be Published.