Magnesium in PDB 3w9s: Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra

The structure of Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra, PDB code: 3w9s was solved by C.Chen, S.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.38 / 1.70
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	49.994, 49.994, 145.859, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 17.5

The structure of Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra (pdb code 3w9s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra, PDB code: 3w9s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:14.1 occ:1.00 F1 A:BEF201 2.0 13.7 1.0 OD2 A:ASP8 2.1 13.1 1.0 OD1 A:ASP51 2.1 12.2 1.0 O A:HOH380 2.1 16.1 1.0 O A:GLY53 2.1 13.1 1.0 O A:HOH301 2.2 13.6 1.0 CG A:ASP51 3.1 12.6 1.0 CG A:ASP8 3.1 17.1 1.0 C A:GLY53 3.2 13.9 1.0 BE A:BEF201 3.2 16.1 1.0 OD2 A:ASP51 3.4 14.8 1.0 OD1 A:ASP8 3.5 20.0 1.0 CA A:GLY53 3.7 14.0 1.0 OE2 A:GLU7 3.9 15.8 1.0 F3 A:BEF201 4.0 13.5 1.0 N A:GLY53 4.0 13.7 1.0 F2 A:BEF201 4.2 13.9 1.0 O A:HOH315 4.2 29.8 1.0 O A:HOH342 4.3 20.7 1.0 O A:HOH472 4.4 26.6 1.0 N A:LEU54 4.4 13.4 1.0 CB A:ASP8 4.4 13.8 1.0 CB A:ASP51 4.4 12.8 1.0 N A:ASP8 4.4 12.5 1.0 CD2 A:LEU54 4.6 11.9 1.0 CD A:GLU7 4.6 14.7 1.0 O A:HOH318 4.7 30.2 1.0 O A:HOH435 4.7 32.8 1.0 NZ A:LYS101 4.7 13.9 1.0 OE1 A:GLU7 4.7 14.4 1.0 CA A:LEU54 4.8 13.0 1.0 CA A:ASP8 4.9 12.2 1.0 N A:ASP9 5.0 13.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of the N-Terminal Receiver Domain of Response Regulator Pmra within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:13.1 occ:1.00 OD2 B:ASP51 2.0 11.8 1.0 F2 B:BEF201 2.0 13.9 1.0 OD1 B:ASP8 2.0 14.1 1.0 O B:HOH351 2.1 15.3 1.0 O B:GLY53 2.1 14.3 1.0 O B:HOH410 2.1 14.2 1.0 CG B:ASP51 3.0 12.8 1.0 CG B:ASP8 3.1 17.1 1.0 C B:GLY53 3.2 14.4 1.0 BE B:BEF201 3.2 19.0 1.0 OD1 B:ASP51 3.4 14.3 1.0 OD2 B:ASP8 3.5 19.8 1.0 CA B:GLY53 3.7 13.7 1.0 OE2 B:GLU7 3.9 16.1 1.0 F3 B:BEF201 4.0 14.2 1.0 N B:GLY53 4.0 14.0 1.0 O B:HOH347 4.2 32.5 1.0 F1 B:BEF201 4.2 14.3 1.0 O B:HOH432 4.3 30.9 1.0 O B:HOH458 4.3 20.3 1.0 N B:LEU54 4.4 14.6 1.0 CB B:ASP8 4.4 14.5 1.0 CB B:ASP51 4.4 12.1 1.0 O B:HOH422 4.4 25.8 1.0 N B:ASP8 4.4 13.3 1.0 O B:HOH441 4.6 32.1 1.0 CD B:GLU7 4.6 14.1 1.0 CD2 B:LEU54 4.6 12.5 1.0 O B:HOH437 4.7 28.7 1.0 NZ B:LYS101 4.7 12.8 1.0 OE1 B:GLU7 4.7 14.9 1.0 CA B:LEU54 4.8 14.4 1.0 CA B:ASP8 4.8 13.5 1.0 N B:ASP9 5.0 14.3 1.0

S.C.Lou, Y.C.Lou, M.Rajasekaran, Y.W.Chang, C.D.Hsiao, C.Chen. Structural Basis of A Physical Blockage Mechanism For the Interaction of Response Regulator Pmra with Connector Protein Pmrd From Klebsiella Pneumoniae J.Biol.Chem. V. 288 25551 2013.
ISSN: ISSN 0021-9258
PubMed: 23861396
DOI: 10.1074/JBC.M113.481978