Magnesium in PDB 6rh0: Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 5.5

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 5.5, PDB code: 6rh0 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)	49.21 / 2.87
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.616, 92.933, 174.337, 90.00, 93.49, 90.00
R / Rfree (%)	24 / 28.7

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 5.5 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 5.5 (pdb code 6rh0). 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 5.5, PDB code: 6rh0:
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 5.5


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 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:37.5 occ:1.00 F1 C:BFD53 2.0 54.2 0.8 O C:MET55 2.3 44.4 1.0 OD1 C:ASP10 2.6 47.5 1.0 OD2 C:BFD53 2.8 41.8 1.0 O A:HOH627 3.1 41.1 1.0 BE C:BFD53 3.3 53.3 0.8 O C:HOH323 3.3 33.5 1.0 CG C:ASP10 3.4 49.4 1.0 OD2 C:ASP10 3.4 50.6 1.0 C C:MET55 3.4 45.7 1.0 CB C:MET55 3.8 45.6 1.0 CG C:BFD53 3.8 41.1 1.0 CA C:MET55 4.1 45.6 1.0 OD1 C:BFD53 4.1 40.5 1.0 F3 C:BFD53 4.2 54.6 0.8 F2 C:BFD53 4.3 51.8 0.8 N C:MET55 4.5 44.2 1.0 N C:MET56 4.6 47.6 1.0 OD1 C:ASP9 4.8 44.9 1.0 CB C:ASP10 4.8 51.0 1.0 CA C:MET56 4.9 48.9 1.0

Magnesium binding site 2 out of 2 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 5.5


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 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:46.8 occ:1.00 O D:MET55 2.3 49.0 1.0 OD1 D:ASP10 2.4 49.5 1.0 O D:HOH317 2.4 44.0 1.0 OD2 D:BFD53 2.4 45.0 1.0 F1 D:BFD53 2.5 46.4 0.8 BE D:BFD53 3.3 45.7 0.8 O D:HOH320 3.4 32.2 1.0 CG D:ASP10 3.4 51.2 1.0 CG D:BFD53 3.4 44.5 1.0 C D:MET55 3.5 50.3 1.0 OD2 D:ASP10 3.7 52.1 1.0 OD1 D:BFD53 3.7 43.5 1.0 OD1 D:ASP9 4.0 47.6 1.0 CB D:MET55 4.1 50.1 1.0 F3 D:BFD53 4.2 46.4 0.8 CA D:MET55 4.2 50.1 1.0 F2 D:BFD53 4.4 44.6 0.8 N D:MET56 4.5 51.9 1.0 N D:MET55 4.6 48.7 1.0 CB D:MET56 4.7 52.3 1.0 CG D:ASP9 4.7 46.9 1.0 CA D:MET56 4.7 53.0 1.0 CB D:ASP10 4.7 53.0 1.0 CB D:BFD53 4.8 45.4 1.0 N D:ASP10 4.8 50.4 1.0 OD2 D:ASP9 4.8 46.0 1.0 NZ D:LYS105 5.0 43.1 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