Manganese in PDB 3rvj: Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q, PDB code: 3rvj 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)	27.58 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.584, 53.697, 160.663, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.1

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Manganese atom in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q (pdb code 3rvj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q, PDB code: 3rvj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:29.3 occ:1.00 O A:HOH212 2.1 26.4 1.0 OD2 A:ASP57 2.2 23.9 1.0 OD1 A:ASP13 2.2 24.9 1.0 O A:ASP59 2.2 26.4 1.0 F2 A:BEF131 2.3 27.2 1.0 O A:HOH214 2.3 26.9 1.0 CG A:ASP57 3.1 23.9 1.0 CG A:ASP13 3.1 25.9 1.0 BE A:BEF131 3.4 32.5 1.0 OD1 A:ASP57 3.4 25.4 1.0 C A:ASP59 3.4 27.6 1.0 OD2 A:ASP13 3.4 32.2 1.0 OD1 A:ASP12 4.0 27.9 1.0 CB A:ASP59 4.1 24.7 1.0 CA A:ASP59 4.1 27.0 1.0 CG A:MET60 4.2 22.0 1.0 F1 A:BEF131 4.2 26.4 1.0 N A:ASP59 4.3 25.9 1.0 F3 A:BEF131 4.3 24.1 1.0 CD2 A:PHE14 4.4 43.4 1.0 N A:MET60 4.4 26.1 1.0 N A:ASP13 4.4 25.3 1.0 CB A:ASP57 4.4 25.2 1.0 CB A:ASP13 4.5 27.4 1.0 CG A:ASP12 4.6 30.3 1.0 CG A:ASP59 4.7 36.1 1.0 CA A:MET60 4.7 23.8 1.0 NZ A:LYS109 4.7 25.0 1.0 OD2 A:ASP12 4.7 27.0 1.0 CE2 A:PHE14 4.8 44.4 1.0 O A:HOH255 4.8 41.1 1.0 CA A:ASP13 4.9 28.0 1.0

Manganese binding site 2 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn130 b:33.1 occ:1.00 O B:HOH198 2.1 31.1 1.0 OD2 B:ASP57 2.1 28.7 1.0 F2 B:BEF131 2.2 30.0 1.0 O B:ASP59 2.2 31.6 1.0 OD1 B:ASP13 2.3 31.5 1.0 O B:HOH197 2.3 25.2 1.0 CG B:ASP13 3.1 31.4 1.0 CG B:ASP57 3.2 28.2 1.0 BE B:BEF131 3.3 32.8 1.0 OD2 B:ASP13 3.3 31.3 1.0 C B:ASP59 3.4 30.4 1.0 OD1 B:ASP57 3.6 27.5 1.0 OD1 B:ASP12 4.0 29.2 1.0 CA B:ASP59 4.2 30.2 1.0 F1 B:BEF131 4.2 34.2 1.0 CB B:ASP59 4.2 30.4 1.0 F3 B:BEF131 4.2 33.2 1.0 O B:HOH190 4.2 53.1 1.0 CG B:MET60 4.3 24.2 1.0 CD2 B:PHE14 4.3 45.1 1.0 N B:ASP59 4.4 28.3 1.0 O B:HOH142 4.4 45.8 1.0 N B:MET60 4.4 28.8 1.0 CB B:ASP57 4.5 26.9 1.0 N B:ASP13 4.5 29.9 1.0 CB B:ASP13 4.5 27.2 1.0 NZ B:LYS109 4.6 25.1 1.0 CG B:ASP59 4.6 36.9 1.0 CG B:ASP12 4.7 30.0 1.0 CA B:MET60 4.7 29.2 1.0 CE2 B:PHE14 4.7 41.8 1.0 OD2 B:ASP12 4.8 26.8 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