Manganese 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
Magnesium	(Mg)	2 atoms

The binding sites of Manganese 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 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 E89K, PDB code: 3rvp:
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 E89K


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 E89K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:37.9 occ:1.00 OD2 A:ASP57 2.1 24.2 1.0 OD2 A:ASP13 2.3 22.7 1.0 O A:HOH213 2.3 29.8 1.0 F3 A:BEF131 2.3 26.3 1.0 O A:ASP59 2.3 27.9 1.0 O A:HOH212 2.4 26.4 1.0 CG A:ASP57 3.2 23.8 1.0 CG A:ASP13 3.2 29.0 1.0 BE A:BEF131 3.3 28.8 1.0 C A:ASP59 3.5 29.6 1.0 OD1 A:ASP13 3.5 30.1 1.0 OD1 A:ASP57 3.5 21.4 1.0 CB A:ASP59 4.1 23.8 1.0 OD1 A:ASP12 4.1 22.2 1.0 F2 A:BEF131 4.1 28.0 1.0 CA A:ASP59 4.1 25.8 1.0 F1 A:BEF131 4.3 24.7 1.0 N A:ASP59 4.3 23.3 1.0 CD2 A:PHE14 4.4 44.5 1.0 CG A:MET60 4.4 18.6 1.0 CB A:ASP57 4.4 16.8 1.0 O A:HOH154 4.5 38.8 1.0 N A:ASP13 4.5 24.0 1.0 N A:MET60 4.5 28.9 1.0 CB A:ASP13 4.6 23.6 1.0 CE2 A:PHE14 4.6 40.3 1.0 OD2 A:ASP12 4.6 21.3 1.0 CG A:ASP12 4.6 24.0 1.0 NZ A:LYS109 4.6 21.7 1.0 CG A:ASP59 4.7 35.1 1.0 CA A:MET60 4.8 30.3 1.0 O A:HOH216 4.8 38.5 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 E89K


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 E89K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn130 b:38.5 occ:1.00 F2 B:BEF131 2.2 25.2 1.0 OD2 B:ASP57 2.3 21.8 1.0 OD1 B:ASP13 2.3 26.1 1.0 O B:HOH189 2.3 31.3 1.0 O B:ASP59 2.3 30.1 1.0 O B:HOH186 2.4 24.3 1.0 CG B:ASP13 3.1 28.6 1.0 OD2 B:ASP13 3.3 26.5 1.0 CG B:ASP57 3.3 20.3 1.0 BE B:BEF131 3.4 32.6 1.0 C B:ASP59 3.5 30.8 1.0 OD1 B:ASP57 3.7 26.0 1.0 OD1 B:ASP12 4.0 22.7 1.0 CD2 B:PHE14 4.1 43.9 1.0 CB B:ASP59 4.1 29.5 1.0 F3 B:BEF131 4.2 27.2 1.0 CA B:ASP59 4.2 24.8 1.0 F1 B:BEF131 4.3 30.7 1.0 CG B:MET60 4.3 21.6 1.0 O B:HOH192 4.4 43.2 1.0 O B:HOH218 4.4 45.4 1.0 CE2 B:PHE14 4.4 38.3 1.0 N B:ASP59 4.4 21.3 1.0 CB B:ASP13 4.5 24.1 1.0 N B:MET60 4.6 31.4 1.0 CG B:ASP59 4.6 32.2 1.0 N B:ASP13 4.6 21.2 1.0 CB B:ASP57 4.6 17.2 1.0 O B:HOH181 4.6 34.9 1.0 CG B:ASP12 4.7 27.8 1.0 CA B:MET60 4.8 27.9 1.0 NZ B:LYS109 4.8 28.3 1.0 OD2 B:ASP59 4.8 44.4 1.0 OD2 B:ASP12 4.8 25.9 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