Magnesium in PDB 4uhs: Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form)

The structure of Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form), PDB code: 4uhs was solved by A.E.Mechaly, P.M.A.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.09 / 5.00
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.222, 114.222, 356.734, 90.00, 90.00, 90.00
R / Rfree (%)	26.1 / 26.7

The binding sites of Magnesium atom in the Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form) (pdb code 4uhs). 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 the Receiver Domain of Cpxr From E. Coli (Tetragonal Form), PDB code: 4uhs:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form)


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 the Receiver Domain of Cpxr From E. Coli (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1128 b:0.6 occ:1.00 OD2 A:ASP51 3.0 0.5 1.0 OD1 A:ASP51 3.1 1.0 1.0 CG A:ASP51 3.4 0.4 1.0 NZ A:LYS100 3.8 0.0 1.0 O A:MET53 3.8 0.1 1.0 CB A:MET53 4.3 0.1 1.0 OD1 A:ASP9 4.5 0.9 1.0 CB A:ALA79 4.6 0.2 1.0 N A:ALA79 4.7 0.7 1.0 C A:MET53 4.7 0.8 1.0 N A:MET53 4.7 0.8 1.0 CA A:MET53 4.8 0.8 1.0 CE A:LYS100 4.8 0.3 1.0 OD1 A:ASP8 4.9 0.4 1.0 SD A:MET53 4.9 0.0 1.0 CG A:MET53 4.9 0.2 1.0 CB A:ASP51 4.9 0.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form)


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 the Receiver Domain of Cpxr From E. Coli (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1128 b:0.0 occ:1.00 OD2 B:ASP51 2.8 0.0 1.0 OD1 B:ASP51 2.9 1.0 1.0 NZ B:LYS100 2.9 0.0 1.0 CG B:ASP51 3.2 0.3 1.0 O B:MET53 3.5 0.4 1.0 CE B:LYS100 3.5 0.0 1.0 CB B:MET53 3.9 0.5 1.0 N B:MET53 4.1 1.0 1.0 CB B:ALA79 4.2 0.0 1.0 CA B:MET53 4.3 0.8 1.0 C B:MET53 4.3 0.4 1.0 N B:ALA79 4.7 0.9 1.0 CB B:ASP51 4.7 0.0 1.0 OD1 B:ASP9 4.8 0.0 1.0 CG B:MET53 4.8 0.0 1.0 OD2 B:ASP8 4.9 0.0 1.0 N B:VAL52 5.0 0.8 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Tetragonal Form)


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 the Receiver Domain of Cpxr From E. Coli (Tetragonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1128 b:0.9 occ:1.00 OD1 C:ASP51 2.1 0.6 1.0 NZ C:LYS100 2.8 0.4 1.0 CG C:ASP51 3.2 0.6 1.0 CE C:LYS100 3.3 0.7 1.0 CG C:MET53 3.3 0.8 1.0 OD2 C:ASP51 3.6 0.1 1.0 CB C:ALA79 3.6 0.4 1.0 SD C:MET53 4.0 0.7 1.0 N C:ALA79 4.0 0.3 1.0 O C:LEU77 4.2 0.4 1.0 O C:MET53 4.4 0.0 1.0 CA C:ALA79 4.4 0.2 1.0 CB C:ASP51 4.4 0.9 1.0 N C:MET53 4.4 0.9 1.0 CE C:MET53 4.4 0.4 1.0 N C:VAL52 4.5 0.3 1.0 OD2 C:ASP8 4.6 0.3 1.0 CD C:LYS100 4.6 0.1 1.0 C C:THR78 4.6 0.6 1.0 CB C:MET53 4.7 0.8 1.0 CA C:ASP51 4.9 0.0 1.0 CA C:THR78 4.9 0.8 1.0 C C:LEU77 4.9 0.6 1.0 CA C:MET53 5.0 0.3 1.0

A.E.Mechaly, A.Haouz, N.Sassoon, A.Buschiazzo, J.M.Betton, P.M.Alzari. Conformational Plasticity of the Response Regulator Cpxr, A Key Player in Gammaproteobacteria Virulence and Drug-Resistance. J. Struct. Biol. V. 204 165 2018.
ISSN: ESSN 1095-8657
PubMed: 30086390
DOI: 10.1016/J.JSB.2018.08.001