Magnesium in PDB 6rgz: Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5, PDB code: 6rgz was solved by C.Mideros-Mora, P.Casino, A.Marina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.90 / 2.35
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.736, 93.608, 173.927, 90.00, 93.35, 90.00
R / Rfree (%)	21.5 / 26.5

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5 (pdb code 6rgz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5, PDB code: 6rgz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:43.3 occ:1.00 O C:HOH324 2.0 45.6 1.0 F1 C:BFD53 2.0 37.6 0.8 O C:MET55 2.1 46.5 1.0 OD2 C:BFD53 2.2 41.6 1.0 O C:HOH305 2.2 44.3 1.0 OD1 C:ASP10 2.3 50.6 1.0 CG C:BFD53 3.2 40.5 1.0 BE C:BFD53 3.2 39.0 0.8 CG C:ASP10 3.3 52.5 1.0 C C:MET55 3.3 49.0 1.0 OD1 C:BFD53 3.5 39.5 1.0 OD2 C:ASP10 3.6 54.5 1.0 O C:HOH335 3.8 51.1 1.0 O B:HOH654 4.0 48.7 1.0 CB C:MET55 4.0 50.8 1.0 CA C:MET55 4.0 48.9 1.0 F2 C:BFD53 4.1 39.2 0.8 OD1 C:ASP9 4.3 47.5 1.0 F3 C:BFD53 4.3 41.4 0.8 N C:MET55 4.3 46.1 1.0 N C:MET56 4.4 51.2 1.0 CG C:MET56 4.5 47.1 1.0 CB C:BFD53 4.5 40.3 1.0 CB C:ASP10 4.6 53.5 1.0 N C:ASP10 4.7 47.2 1.0 CA C:MET56 4.7 51.8 1.0 CG C:ASP9 4.8 44.5 1.0 OD2 C:ASP9 4.8 45.2 1.0 NZ C:LYS105 5.0 34.8 1.0

Magnesium binding site 2 out of 2 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:44.1 occ:1.00 O D:HOH315 1.9 48.9 1.0 F1 D:BFD53 2.0 37.6 0.8 O D:HOH308 2.1 44.2 1.0 OD1 D:ASP10 2.2 51.5 1.0 OD2 D:BFD53 2.2 42.8 1.0 O D:MET55 2.3 49.7 1.0 CG D:ASP10 3.2 53.6 1.0 BE D:BFD53 3.2 39.2 0.8 CG D:BFD53 3.2 42.8 1.0 C D:MET55 3.5 51.3 1.0 OD2 D:ASP10 3.5 55.7 1.0 OD1 D:BFD53 3.6 41.9 1.0 O A:HOH653 3.8 46.7 1.0 O A:HOH652 3.9 59.9 1.0 OD1 D:ASP9 4.0 47.2 1.0 F2 D:BFD53 4.0 39.4 0.8 CB D:MET55 4.2 53.1 1.0 CA D:MET55 4.2 51.4 1.0 F3 D:BFD53 4.4 41.1 0.8 N D:MET55 4.4 48.9 1.0 CG D:MET56 4.5 49.3 1.0 N D:MET56 4.5 53.0 1.0 CB D:ASP10 4.5 54.3 1.0 CB D:BFD53 4.6 42.5 1.0 N D:ASP10 4.6 48.7 1.0 CA D:MET56 4.7 54.0 1.0 CG D:ASP9 4.8 45.4 1.0 NZ D:LYS105 5.0 39.6 1.0

C.Mideros-Mora, L.Miguel-Romero, A.Felipe-Ruiz, P.Casino, A.Marina. Revisiting the pH-Gated Conformational Switch on the Activities of Hiska-Family Histidine Kinases. Nat Commun V. 11 769 2020.
ISSN: ESSN 2041-1723
PubMed: 32034139
DOI: 10.1038/S41467-020-14540-5