Magnesium in PDB 9otl: Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1

The structure of Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1, PDB code: 9otl was solved by C.E.Bell, K.Zakharova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	107.82 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.117, 115.769, 108.306, 90, 95.46, 90
R / Rfree (%)	18.7 / 23.3

The binding sites of Magnesium atom in the Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1 (pdb code 9otl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1, PDB code: 9otl:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1


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 Salmonella Frab Deglycase, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:36.1 occ:1.00 O A:HOH621 2.2 51.7 1.0 O A:GLU227 2.3 29.3 1.0 O A:PRO232 2.3 24.0 1.0 O A:HIS230 2.3 32.9 1.0 C A:GLU227 3.3 36.5 1.0 C A:PRO232 3.4 27.7 1.0 C A:HIS230 3.6 41.1 1.0 CD1 A:PHE233 3.8 33.5 1.0 CA A:PHE228 4.0 38.7 1.0 N A:PHE228 4.0 36.6 1.0 CB A:GLU227 4.1 43.6 1.0 C A:GLY231 4.1 36.6 1.0 N A:PRO232 4.2 35.1 1.0 CA A:GLY231 4.2 32.6 1.0 N A:PHE233 4.3 29.9 1.0 CE1 A:PHE233 4.3 38.7 1.0 N A:GLY231 4.4 43.6 1.0 O A:GLY231 4.4 40.8 1.0 CA A:PHE233 4.4 32.0 1.0 CA A:GLU227 4.4 35.1 1.0 CA A:PRO232 4.4 29.1 1.0 N A:HIS230 4.4 46.5 1.0 CA A:HIS230 4.6 46.0 1.0 C A:PHE228 4.7 43.6 1.0 OE1 A:GLU234 4.8 29.6 1.0 CG A:PHE233 4.8 34.9 1.0 CD A:PRO232 4.9 33.0 1.0 N A:PHE229 4.9 49.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1


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 Salmonella Frab Deglycase, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:31.0 occ:1.00 O B:GLU227 2.1 29.4 1.0 O B:HOH642 2.2 38.9 1.0 O B:HIS230 2.2 29.5 1.0 O B:PRO232 2.3 23.2 1.0 O B:HOH515 2.7 35.5 1.0 C B:GLU227 3.2 33.7 1.0 C B:HIS230 3.4 33.1 1.0 C B:PRO232 3.5 23.9 1.0 O B:HOH635 3.6 47.0 1.0 CA B:PHE228 3.9 25.3 1.0 N B:PHE228 4.0 28.2 1.0 N B:HIS230 4.0 25.9 1.0 C B:GLY231 4.1 27.0 1.0 C B:PHE228 4.1 29.8 1.0 O B:GLY231 4.1 22.7 1.0 CA B:GLU227 4.2 33.8 1.0 N B:PRO232 4.2 26.3 1.0 CA B:HIS230 4.3 32.5 1.0 O B:PHE228 4.3 30.4 1.0 O B:HOH538 4.3 56.2 1.0 CA B:PHE233 4.4 23.3 1.0 N B:PHE233 4.4 22.1 1.0 N B:GLY231 4.4 31.3 1.0 CA B:PRO232 4.5 27.6 1.0 CB B:GLU227 4.5 42.3 1.0 CA B:GLY231 4.5 29.3 1.0 CB B:PHE233 4.6 22.7 1.0 CG B:GLU227 4.6 44.1 1.0 N B:PHE229 4.7 26.9 1.0 CD B:PRO232 4.8 26.4 1.0 CB B:HIS230 4.9 30.5 1.0 OE1 B:GLU234 4.9 27.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Salmonella Frab Deglycase, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:46.5 occ:1.00 O D:HOH605 2.2 46.6 1.0 O D:PRO232 2.3 40.3 1.0 O D:HOH565 2.4 45.1 1.0 O D:GLU227 2.4 37.4 1.0 O D:HIS230 2.6 48.7 1.0 O D:PHE228 3.0 66.0 1.0 C D:PHE228 3.4 51.8 1.0 C D:GLU227 3.4 41.3 1.0 C D:PRO232 3.5 40.2 1.0 CA D:PHE228 3.6 52.4 1.0 C D:HIS230 3.7 46.1 1.0 N D:HIS230 3.9 55.0 1.0 N D:PHE228 4.0 46.2 1.0 O D:GLY231 4.2 34.1 1.0 C D:GLY231 4.3 39.8 1.0 CA D:PHE233 4.3 38.3 1.0 N D:PHE233 4.3 38.6 1.0 N D:PHE229 4.3 56.9 1.0 CA D:HIS230 4.4 52.3 1.0 CB D:PHE233 4.4 43.6 1.0 N D:PRO232 4.5 43.4 1.0 CA D:PRO232 4.6 40.4 1.0 CA D:GLU227 4.6 43.5 1.0 N D:GLY231 4.7 48.4 1.0 CG D:GLU227 4.7 52.4 1.0 OE1 D:GLU234 4.7 39.2 1.0 CA D:GLY231 4.8 43.3 1.0 CD1 D:PHE228 4.8 52.9 1.0 C D:PHE229 5.0 57.4 1.0

K.Zakharova, J.D.Law, Y.Gao, S.Kovvali, V.H.Wysocki, V.Gopalan, C.E.Bell. Crystal Structures of Salmonella Enterica Frab Deglycase Reveal A Conformational Heterodimer with Remarkable Structural Plasticity at the Active Site To Be Published.