Magnesium in PDB 6rfv: Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7, PDB code: 6rfv 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)	30.00 / 2.83
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.673, 93.579, 172.703, 90.00, 93.32, 90.00
R / Rfree (%)	24.3 / 30.9

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7 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 7 (pdb code 6rfv). 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 7, PDB code: 6rfv:
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 7


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 7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:50.5 occ:1.00 F1 C:BFD53 1.9 45.4 0.8 OD1 C:ASP10 2.2 50.5 1.0 O C:HOH306 2.3 37.2 1.0 OD2 C:BFD53 2.3 38.3 1.0 O C:HOH320 2.7 41.0 1.0 BE C:BFD53 2.9 48.1 0.8 O C:MET55 3.0 47.2 1.0 CG C:BFD53 3.3 37.3 1.0 F2 C:BFD53 3.4 51.9 0.8 OD2 C:ASP9 3.4 45.2 1.0 CG C:ASP10 3.4 52.0 1.0 OD1 C:ASP9 3.5 44.1 1.0 OD1 C:BFD53 3.7 35.3 1.0 CG C:ASP9 3.8 45.0 1.0 OD2 C:ASP10 4.0 54.2 1.0 C C:MET55 4.2 50.2 1.0 F3 C:BFD53 4.3 46.9 0.8 NZ C:LYS105 4.4 33.7 1.0 N C:ASP10 4.4 49.1 1.0 O A:HOH637 4.6 30.8 1.0 O A:HOH630 4.6 29.5 1.0 CB C:BFD53 4.6 37.9 1.0 CB C:ASP10 4.6 53.5 1.0 CG C:MET56 4.8 49.4 1.0 C C:ASP10 4.8 51.4 1.0 CA C:ASP10 4.8 51.5 1.0 N C:SER11 4.9 47.4 1.0 CB C:SER11 5.0 41.9 1.0 CB C:MET55 5.0 52.7 1.0

Magnesium binding site 2 out of 2 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7


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 7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:35.4 occ:1.00 F3 D:BFD53 2.3 43.4 0.8 O D:HOH301 2.3 32.6 1.0 O D:MET55 2.5 52.4 1.0 OD1 D:ASP10 2.5 55.1 1.0 OD2 D:ASP10 2.9 57.0 1.0 OD2 D:BFD53 2.9 44.5 1.0 CG D:ASP10 3.1 56.1 1.0 BE D:BFD53 3.6 44.6 0.8 C D:MET55 3.7 54.4 1.0 CG D:BFD53 4.0 43.8 1.0 CB D:MET55 4.2 55.7 1.0 F1 D:BFD53 4.2 45.4 0.8 OD1 D:BFD53 4.3 42.4 1.0 CA D:MET55 4.5 54.5 1.0 CB D:ASP10 4.6 57.9 1.0 OD1 D:ASP9 4.6 46.1 1.0 F2 D:BFD53 4.7 45.2 0.8 N D:MET56 4.7 56.1 1.0 CA D:MET56 5.0 57.6 1.0 N D:MET55 5.0 51.2 1.0 N D:SER11 5.0 52.5 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