Magnesium in PDB 3rvp: Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K, PDB code: 3rvp was solved by C.A.Starbird, R.M.Immormino, R.E.Silversmith, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.58 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.487, 53.626, 160.416, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.5

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Manganese	(Mn)	2 atoms

The binding sites of Magnesium atom in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K (pdb code 3rvp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K, PDB code: 3rvp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg141 b:56.2 occ:1.00 OE2 A:GLU37 3.6 53.4 1.0 OD1 A:ASP41 3.9 40.0 1.0 O A:HOH175 4.0 34.6 1.0 O3 A:GOL140 4.1 46.0 1.0 O A:HOH171 4.3 34.0 1.0 CG A:ASP41 4.3 36.7 1.0 CD A:GLU37 4.4 49.8 1.0 OD2 A:ASP41 4.4 39.3 1.0 C3 A:GOL140 4.7 49.6 1.0 CG A:GLU37 4.9 43.0 1.0

Magnesium binding site 2 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg140 b:47.9 occ:1.00 O2 B:SO4134 3.0 52.2 1.0 N B:GLU93 3.3 26.7 1.0 O3 B:SO4134 3.3 59.0 1.0 CG B:GLU93 3.3 45.5 1.0 N B:LYS92 3.5 40.8 1.0 CB B:LYS92 3.5 33.9 1.0 OE1 B:GLU93 3.6 60.9 1.0 S B:SO4134 3.7 66.7 1.0 CA B:LYS92 3.9 36.2 1.0 CB B:GLU93 3.9 34.3 1.0 CD B:GLU93 3.9 60.1 1.0 CB B:LYS91 3.9 37.0 1.0 C B:LYS92 4.1 33.1 1.0 CA B:GLU93 4.2 37.5 1.0 C B:LYS91 4.2 37.5 1.0 O A:HOH238 4.4 29.9 1.0 CE B:LYS92 4.4 38.3 1.0 CA B:LYS91 4.4 36.2 1.0 NZ B:LYS92 4.5 25.8 1.0 O4 B:SO4134 4.6 81.6 1.0 CE B:LYS91 4.6 56.7 1.0 CG B:LYS92 4.7 37.9 1.0 CG B:LYS91 4.8 40.4 1.0 O1 B:SO4134 4.8 59.6 1.0

R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret. Probing Mechanistic Similarities Between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases. Biochemistry V. 54 3514 2015.
ISSN: ISSN 0006-2960
PubMed: 25928369
DOI: 10.1021/ACS.BIOCHEM.5B00286