Magnesium in PDB 3nns: BEF3 Activated Drrb Receiver Domain

The structure of BEF3 Activated Drrb Receiver Domain, PDB code: 3nns was solved by V.L.Robinson, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.320, 37.492, 91.478, 90.00, 108.15, 90.00
R / Rfree (%)	18.9 / 23.1

The structure of BEF3 Activated Drrb Receiver Domain also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the BEF3 Activated Drrb Receiver Domain (pdb code 3nns). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the BEF3 Activated Drrb Receiver Domain, PDB code: 3nns:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the BEF3 Activated Drrb Receiver Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of BEF3 Activated Drrb Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:34.7 occ:1.00 O A:HOH283 1.9 22.9 1.0 O A:HOH317 2.0 16.1 1.0 OD2 A:ASP10 2.0 16.0 1.0 OD1 A:ASP50 2.0 16.2 1.0 F1 A:BEF402 2.3 31.7 1.0 O A:MSE52 2.4 21.9 1.0 CG A:ASP10 2.8 16.8 1.0 OD1 A:ASP10 3.0 15.8 1.0 CG A:ASP50 3.1 14.1 1.0 BE A:BEF402 3.3 29.2 1.0 OD2 A:ASP50 3.5 14.2 1.0 C A:MSE52 3.5 21.5 1.0 OD2 A:ASP9 3.9 16.7 1.0 F3 A:BEF402 4.2 33.9 1.0 CB A:ASP10 4.2 15.7 1.0 N A:ASP10 4.2 14.1 1.0 CB A:MSE52 4.3 29.2 1.0 CA A:MSE52 4.4 23.7 1.0 CB A:ASP50 4.4 13.6 1.0 F2 A:BEF402 4.4 33.6 1.0 N A:LEU53 4.5 20.5 1.0 CG A:ASP9 4.5 15.4 1.0 CD2 A:LEU53 4.5 18.7 1.0 CA A:LEU53 4.6 19.4 1.0 N A:MSE52 4.6 20.4 1.0 OD1 A:ASP9 4.7 13.1 1.0 NZ A:LYS100 4.7 11.1 1.0 CA A:ASP10 4.8 16.6 1.0 N A:ASP11 4.9 17.7 1.0

Magnesium binding site 2 out of 2 in the BEF3 Activated Drrb Receiver Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of BEF3 Activated Drrb Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:26.1 occ:1.00 OD1 B:ASP50 1.9 20.4 1.0 F1 B:BEF502 2.0 28.5 1.0 O B:MSE52 2.3 18.5 1.0 O B:HOH284 2.3 19.3 1.0 O B:HOH285 2.4 18.7 1.0 OD2 B:ASP10 2.5 25.4 1.0 CG B:ASP50 2.9 18.7 1.0 BE B:BEF502 2.9 24.8 1.0 OD2 B:ASP50 3.1 14.8 1.0 C B:MSE52 3.3 20.1 1.0 CG B:ASP10 3.4 20.8 1.0 OD1 B:ASP10 3.6 22.5 1.0 CB B:MSE52 3.9 22.2 1.0 F2 B:BEF502 3.9 27.4 1.0 F3 B:BEF502 3.9 29.1 1.0 CA B:MSE52 4.0 19.0 1.0 OD2 B:ASP9 4.1 15.7 1.0 N B:MSE52 4.1 16.5 1.0 CB B:ASP50 4.2 14.5 1.0 O B:HOH220 4.4 32.3 1.0 N B:LEU53 4.4 19.1 1.0 CA B:LEU53 4.7 19.0 1.0 CG B:ASP9 4.7 15.2 1.0 NZ B:LYS100 4.8 9.8 1.0 N B:ASP10 4.8 13.4 1.0 CB B:ASP10 4.8 19.5 1.0 OD1 B:ASP9 4.9 15.3 1.0 CD2 B:LEU53 5.0 16.2 1.0

C.M.Barbieri, T.R.Mack, V.L.Robinson, M.T.Miller, A.M.Stock. Regulation of Response Regulator Autophosphorylation Through Interdomain Contacts. J.Biol.Chem. V. 285 32325 2010.
ISSN: ISSN 0021-9258
PubMed: 20702407
DOI: 10.1074/JBC.M110.157164