Magnesium in PDB 6zii: Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-

The structure of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-, PDB code: 6zii was solved by J.Huesa, A.Marina, P.Casino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.71 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.144, 64.4, 47.131, 90, 100.14, 90
R / Rfree (%)	22.2 / 27.8

The structure of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- (pdb code 6zii). 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 the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-, PDB code: 6zii:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:37.1 occ:1.00 O B:HOH409 1.9 32.4 1.0 OD1 B:ASP11 2.2 30.1 1.0 OD2 B:BFD56 2.2 27.0 1.0 O B:HOH401 2.3 55.6 1.0 O B:SER58 2.4 33.2 1.0 F1 B:BFD56 2.5 41.5 1.0 CG B:ASP11 3.2 30.4 1.0 CG B:BFD56 3.3 27.9 1.0 OD2 B:ASP11 3.5 32.3 1.0 C B:SER58 3.6 32.7 1.0 OD1 B:BFD56 3.7 29.2 1.0 BE B:BFD56 3.8 41.5 1.0 CB B:SER58 4.1 33.5 1.0 CA B:SER58 4.3 33.0 1.0 CE1 B:HIS12 4.4 24.4 1.0 OD2 B:ASP10 4.6 37.2 1.0 CB B:ASP11 4.6 29.4 1.0 OD1 B:ASP10 4.6 35.3 1.0 F3 B:BFD56 4.6 41.1 1.0 CB B:BFD56 4.6 27.9 1.0 NZ B:LYS109 4.6 29.8 1.0 N B:ASP11 4.7 29.3 1.0 NE2 B:HIS12 4.7 23.8 1.0 N B:SER58 4.7 32.3 1.0 ND1 B:HIS12 4.7 24.9 1.0 N B:MET59 4.7 33.4 1.0 CG B:ASP10 4.8 34.4 1.0 F2 B:BFD56 4.9 40.9 1.0 CA B:MET59 5.0 33.9 1.0

Magnesium binding site 2 out of 2 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:32.7 occ:1.00 O A:HOH403 2.1 30.0 1.0 F1 A:BFD56 2.2 26.9 1.0 O A:SER58 2.2 36.1 1.0 OD1 A:ASP11 2.2 31.3 1.0 OD2 A:BFD56 2.3 31.1 1.0 CG A:ASP11 3.1 28.8 1.0 OD2 A:ASP11 3.2 29.1 1.0 BE A:BFD56 3.4 25.9 1.0 CG A:BFD56 3.4 32.9 1.0 C A:SER58 3.4 36.0 1.0 OD1 A:BFD56 3.9 34.7 1.0 CB A:SER58 4.1 35.0 1.0 CA A:SER58 4.2 35.6 1.0 F3 A:BFD56 4.3 25.5 1.0 N A:MET59 4.4 37.2 1.0 F2 A:BFD56 4.4 25.1 1.0 CB A:ASP11 4.5 28.2 1.0 OG A:SER58 4.5 34.6 1.0 N A:SER58 4.5 35.0 1.0 CE1 A:HIS12 4.6 22.6 1.0 NE2 A:HIS12 4.6 22.4 1.0 OD1 A:ASP10 4.6 34.1 1.0 CB A:BFD56 4.6 32.9 1.0 CA A:MET59 4.7 38.4 1.0 N A:ASP11 4.8 28.0 1.0 ND1 A:HIS12 4.9 23.2 1.0

J.Huesa, J.Giner-Lamia, M.G.Pucciarelli, F.Paredes-Martinez, F.Garcia-Del Portillo, A.Marina, P.Casino. Structure-Based Analyses of Salmonella Rcsb Variants Unravel New Features of the Rcs Regulon Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962
DOI: 10.1093/NAR/GKAB060