Manganese in PDB 3rvs: Structure of the CHEYN59D/E89R Tungstate Complex

The structure of Structure of the CHEYN59D/E89R Tungstate Complex, PDB code: 3rvs was solved by R.M.Immormino, C.A.Starbird, 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)	19.31 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.560, 53.620, 162.820, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18.4

The structure of Structure of the CHEYN59D/E89R Tungstate Complex also contains other interesting chemical elements:

Tungsten

(W)

2 atoms

The binding sites of Manganese atom in the Structure of the CHEYN59D/E89R Tungstate Complex (pdb code 3rvs). 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 CHEYN59D/E89R Tungstate Complex, PDB code: 3rvs:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of the CHEYN59D/E89R Tungstate Complex


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 CHEYN59D/E89R Tungstate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn130 b:35.0 occ:1.00 O2 A:WO4131 2.0 31.6 0.5 OD2 A:ASP57 2.1 26.9 1.0 OD1 A:ASP13 2.2 32.0 1.0 O A:ASP59 2.2 30.3 1.0 O A:HOH189 2.3 34.3 1.0 O A:HOH152 2.5 31.2 1.0 CG A:ASP13 3.1 27.5 1.0 CG A:ASP57 3.2 28.4 1.0 C A:ASP59 3.4 30.5 1.0 OD2 A:ASP13 3.4 28.8 1.0 OD1 A:ASP57 3.5 30.5 1.0 OD1 A:ASP12 3.9 28.5 1.0 W A:WO4131 4.0 41.9 0.5 CA A:ASP59 4.1 29.9 1.0 CB A:ASP59 4.1 32.3 1.0 CG A:MET60 4.2 25.5 1.0 O4 A:SO4133 4.3 35.1 0.6 N A:ASP59 4.3 28.8 1.0 CD2 A:PHE14 4.4 35.7 1.0 N A:ASP13 4.4 25.1 1.0 N A:MET60 4.4 30.7 1.0 CB A:ASP57 4.5 26.6 1.0 O A:HOH243 4.5 41.7 1.0 CB A:ASP13 4.5 27.5 1.0 CG A:ASP12 4.6 27.1 1.0 O A:HOH169 4.6 45.3 1.0 O1 A:SO4133 4.7 39.1 0.6 CA A:MET60 4.7 28.8 1.0 CE2 A:PHE14 4.7 39.1 1.0 OD2 A:ASP12 4.8 30.8 1.0 O3 A:WO4131 4.9 36.0 0.5 S A:SO4133 4.9 38.1 0.6 CA A:ASP13 4.9 26.6 1.0 O3 A:SO4133 5.0 35.7 0.6

Manganese binding site 2 out of 2 in the Structure of the CHEYN59D/E89R Tungstate Complex


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 CHEYN59D/E89R Tungstate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn130 b:34.0 occ:1.00 O3 B:WO4131 1.9 32.8 0.6 OD2 B:ASP57 2.1 28.3 1.0 OD1 B:ASP13 2.2 33.7 1.0 O B:ASP59 2.3 33.0 1.0 O B:HOH184 2.3 37.5 1.0 O B:HOH141 2.4 28.9 1.0 CG B:ASP13 3.1 31.4 1.0 CG B:ASP57 3.2 30.5 1.0 OD2 B:ASP13 3.4 33.5 1.0 C B:ASP59 3.4 32.9 1.0 OD1 B:ASP57 3.6 31.1 1.0 W B:WO4131 3.9 40.6 0.6 OD1 B:ASP12 4.0 30.0 1.0 CB B:ASP59 4.1 34.1 0.5 CA B:ASP59 4.2 33.2 0.5 CA B:ASP59 4.2 33.1 0.5 CB B:ASP59 4.2 34.1 0.5 CG B:MET60 4.3 25.7 1.0 CD2 B:PHE14 4.4 39.4 1.0 N B:ASP59 4.4 33.1 1.0 O4 B:SO4136 4.4 38.8 0.6 N B:MET60 4.4 33.8 1.0 N B:ASP13 4.5 26.3 1.0 CB B:ASP13 4.5 31.5 1.0 CB B:ASP57 4.5 27.0 1.0 O3 B:SO4136 4.6 34.2 0.6 O B:HOH167 4.6 33.7 0.3 CG B:ASP12 4.6 28.5 1.0 CA B:MET60 4.7 31.9 1.0 CE2 B:PHE14 4.7 39.0 1.0 NZ B:LYS109 4.8 32.3 1.0 OD2 B:ASP12 4.8 31.2 1.0 O1 B:WO4131 4.9 35.2 0.6 O2 B:WO4131 4.9 34.5 0.6 S B:SO4136 5.0 41.8 0.6 CA B:ASP13 5.0 29.5 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