Magnesium in PDB 4uhk: Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Phosphorylated)

The structure of Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Phosphorylated), PDB code: 4uhk 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)	45.38 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.831, 74.144, 76.450, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.3

The binding sites of Magnesium atom in the Crystal Structure of the Receiver Domain of Cpxr From E. Coli (Phosphorylated) (pdb code 4uhk). 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 (Phosphorylated), PDB code: 4uhk:
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 (Phosphorylated)


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 (Phosphorylated) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1133 b:38.1 occ:1.00 OD1 A:ASP9 2.1 57.4 1.0 O A:MET53 2.2 60.1 1.0 O A:HOH2003 2.2 45.2 1.0 OP2 A:PHD51 2.3 54.7 0.9 OD2 A:PHD51 2.4 46.2 0.9 O A:HOH2004 2.6 59.9 1.0 O A:HOH2039 2.8 68.8 1.0 CG A:ASP9 3.1 60.9 1.0 C A:MET53 3.4 58.7 1.0 OD2 A:ASP9 3.4 70.4 1.0 CG A:PHD51 3.4 45.6 0.9 P A:PHD51 3.6 50.4 0.9 OD1 A:PHD51 3.8 49.0 0.9 OD1 A:ASP8 4.1 63.3 1.0 CB A:MET53 4.1 55.6 1.0 CA A:MET53 4.2 53.2 1.0 N A:MET54 4.4 54.9 1.0 CG A:MET54 4.4 58.6 1.0 O A:HOH2038 4.4 58.3 1.0 CB A:ASP9 4.5 52.3 1.0 N A:MET53 4.5 52.4 1.0 OP1 A:PHD51 4.5 47.0 0.9 OP3 A:PHD51 4.6 46.6 0.9 N A:ASP9 4.6 50.3 1.0 CA A:MET54 4.6 55.8 1.0 CB A:PHD51 4.8 43.5 0.9 CG A:ASP8 4.9 59.6 1.0

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


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 (Phosphorylated) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1131 b:37.3 occ:1.00 OP2 B:PHD51 1.9 0.4 1.0 O B:MET53 2.3 59.5 1.0 OD1 B:ASP9 2.3 62.0 1.0 O B:HOH2002 2.3 53.5 1.0 OD2 B:PHD51 2.4 50.1 1.0 O B:HOH2003 2.6 51.1 1.0 P B:PHD51 3.4 95.7 1.0 CG B:ASP9 3.4 63.9 1.0 CG B:PHD51 3.5 56.5 1.0 C B:MET53 3.5 59.8 1.0 CD A:GLU12 3.6 80.7 1.0 OE1 A:GLU12 3.7 0.1 1.0 OD2 B:ASP9 3.8 67.8 1.0 CG A:GLU12 3.8 57.3 1.0 OD1 B:PHD51 3.9 71.8 1.0 OD1 B:ASP8 4.0 64.0 1.0 OP3 B:PHD51 4.1 94.9 1.0 OE2 A:GLU12 4.2 81.0 1.0 OP1 B:PHD51 4.2 93.4 1.0 CA B:MET53 4.4 56.9 1.0 CG B:MET54 4.4 56.0 1.0 N B:MET54 4.5 56.9 1.0 CB B:MET53 4.5 60.6 1.0 N B:MET53 4.6 55.7 1.0 CB B:ASP9 4.7 57.2 1.0 N B:ASP9 4.7 54.6 1.0 CA B:MET54 4.7 55.9 1.0 CB B:PHD51 4.8 52.0 1.0 CG B:ASP8 4.8 61.7 1.0 NZ B:LYS100 5.0 53.2 1.0

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


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 (Phosphorylated) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1131 b:63.7 occ:1.00 OP2 C:PHD51 2.0 77.9 0.9 O C:HOH2001 2.2 82.7 1.0 OD1 C:ASP9 2.3 91.8 1.0 O C:MET53 2.4 75.1 1.0 OD2 C:PHD51 2.6 71.8 0.9 CG C:ASP9 3.1 91.2 1.0 OD2 C:ASP9 3.3 93.1 1.0 P C:PHD51 3.4 71.2 0.9 CG C:PHD51 3.6 68.9 0.9 C C:MET53 3.6 74.7 1.0 OD1 C:PHD51 3.8 68.8 0.9 OD1 C:ASP8 3.9 89.0 1.0 O C:HOH2018 4.1 68.2 1.0 OP1 C:PHD51 4.3 67.1 0.9 OP3 C:PHD51 4.3 67.8 0.9 CB C:MET53 4.3 70.1 1.0 CA C:MET53 4.4 67.1 1.0 CB C:ASP9 4.5 84.8 1.0 CG C:MET54 4.6 76.1 1.0 N C:MET54 4.7 71.9 1.0 N C:ASP9 4.7 80.2 1.0 N C:MET53 4.8 65.5 1.0 CG C:ASP8 4.8 87.3 1.0 CB C:PHD51 4.9 67.1 0.9 CA C:MET54 4.9 74.3 1.0

A.E.Mechaly, S.Soto Diaz, N.Sassoon, A.Buschiazzo, J.M.Betton, P.M.Alzari. Structural Coupling Between Autokinase and Phosphotransferase Reactions in A Bacterial Histidine Kinase. Structure V. 25 939 2017.
ISSN: ISSN 1878-4186
PubMed: 28552574
DOI: 10.1016/J.STR.2017.04.011