Tungsten 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:

Manganese

(Mn)

2 atoms

The binding sites of Tungsten atom in the Structure of the CHEYN59D/E89R Tungstate Complex (pdb code 3rvs). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Structure of the CHEYN59D/E89R Tungstate Complex, PDB code: 3rvs:
Jump to Tungsten binding site number: 1; 2;

Tungsten 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 Tungsten with other atoms in the W binding site number 1 of Structure of the CHEYN59D/E89R Tungstate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:W131 b:41.9 occ:0.50 W A:WO4131 0.0 41.9 0.5 O2 A:WO4131 2.0 31.6 0.5 O1 A:WO4131 2.0 32.6 0.5 O4 A:WO4131 2.0 35.0 0.5 O3 A:WO4131 2.0 36.0 0.5 O3 A:SO4133 2.3 35.7 0.6 OD1 A:ASP57 3.1 30.5 1.0 O1 A:SO4133 3.2 39.1 0.6 S A:SO4133 3.2 38.1 0.6 OD2 A:ASP59 3.3 44.0 1.0 O A:HOH169 3.6 45.3 1.0 CB A:ASP59 3.7 32.3 1.0 OG1 A:THR87 3.8 29.1 1.0 N A:ASP59 3.8 28.8 1.0 O4 A:SO4133 3.8 35.1 0.6 MN A:MN130 4.0 35.0 1.0 CG A:ASP59 4.0 42.2 1.0 CG A:ASP57 4.1 28.4 1.0 N A:ALA88 4.1 28.7 1.0 OD2 A:ASP57 4.3 26.9 1.0 CA A:ASP59 4.3 29.9 1.0 CB A:THR87 4.5 29.5 1.0 O2 A:SO4133 4.5 38.3 0.6 CA A:THR87 4.6 29.4 1.0 O A:HOH152 4.6 31.2 1.0 O A:ASP59 4.6 30.3 1.0 NZ A:LYS109 4.6 31.5 1.0 N A:TRP58 4.6 29.6 1.0 CB A:ALA88 4.7 33.1 1.0 O A:HOH189 4.8 34.3 1.0 CB A:TRP58 4.8 30.8 1.0 C A:TRP58 4.9 28.8 1.0 C A:THR87 4.9 29.1 1.0 CA A:ALA88 5.0 29.6 1.0

Tungsten 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 Tungsten with other atoms in the W binding site number 2 of Structure of the CHEYN59D/E89R Tungstate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:W131 b:40.6 occ:0.63 W B:WO4131 0.0 40.6 0.6 O B:HOH167 1.3 33.7 0.3 O2 B:WO4131 2.0 34.5 0.6 O3 B:WO4131 2.0 32.8 0.6 O1 B:WO4131 2.0 35.2 0.6 O4 B:WO4131 2.0 34.8 0.6 O3 B:SO4136 2.4 34.2 0.6 OD1 B:ASP57 3.1 31.1 1.0 OD2 B:ASP59 3.5 37.6 0.5 S B:SO4136 3.6 41.8 0.6 O1 B:SO4136 3.7 40.1 0.6 CB B:ASP59 3.7 34.1 0.5 OG1 B:THR87 3.8 30.9 1.0 CB B:ASP59 3.8 34.1 0.5 MN B:MN130 3.9 34.0 1.0 N B:ASP59 3.9 33.1 1.0 N B:ALA88 4.0 29.6 1.0 CG B:ASP57 4.0 30.5 1.0 CG B:ASP59 4.1 34.9 0.5 OD2 B:ASP57 4.2 28.3 1.0 NZ B:LYS109 4.2 32.3 1.0 O4 B:SO4136 4.3 38.8 0.6 CA B:ASP59 4.4 33.2 0.5 CA B:ASP59 4.4 33.1 0.5 O B:HOH184 4.4 37.5 1.0 CB B:ALA88 4.5 32.1 1.0 O B:HOH141 4.5 28.9 1.0 O B:ASP59 4.6 33.0 1.0 CA B:THR87 4.6 28.2 1.0 CB B:THR87 4.6 29.9 1.0 N B:TRP58 4.7 28.8 1.0 O2 B:SO4136 4.7 36.6 0.6 CA B:ALA88 4.8 31.6 1.0 C B:THR87 4.8 27.2 1.0 CB B:TRP58 4.9 31.6 1.0 C B:TRP58 4.9 30.7 1.0 CG B:ASP59 4.9 36.4 0.5 CG B:ARG89 4.9 32.5 1.0 N B:ARG89 5.0 32.6 1.0 C B:ASP59 5.0 32.9 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