Tungsten in PDB 3cg1: Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate

The structure of Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cg1 was solved by M.Comellas-Bigler, K.Hollenstein, K.P.Locher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.460, 109.790, 55.430, 90.00, 96.22, 90.00
R / Rfree (%)	18.6 / 20.5

The binding sites of Tungsten atom in the Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate (pdb code 3cg1). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cg1:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ A:W701 b:16.8 occ:0.90 W A:WO4701 0.0 16.8 0.9 O2 A:WO4701 1.4 10.3 1.0 O4 A:WO4701 1.9 10.9 1.0 O3 A:WO4701 1.9 12.4 1.0 O1 A:WO4701 1.9 10.6 1.0 OD1 A:ASP160 2.1 17.7 1.0 OE2 A:GLU218 2.2 10.0 1.0 CG A:ASP160 3.2 15.4 1.0 CD A:GLU218 3.2 14.8 1.0 OD2 A:ASP160 3.6 16.4 1.0 OE1 A:GLU218 3.6 14.4 1.0 N A:GLY41 4.0 14.0 1.0 CB A:ALA40 4.0 13.3 1.0 CD A:PRO161 4.1 14.3 1.0 CB A:ALA95 4.2 13.2 1.0 CE1 A:TYR236 4.2 13.7 1.0 OH A:TYR236 4.2 14.2 1.0 N A:SER42 4.2 13.4 1.0 OG A:SER75 4.2 15.0 1.0 N A:SER75 4.3 13.4 1.0 N A:CYS162 4.3 14.4 1.0 OG A:SER42 4.4 14.1 1.0 CB A:CYS162 4.5 14.1 1.0 CA A:ALA40 4.5 13.5 1.0 CB A:ASP160 4.5 16.3 1.0 CA A:GLY74 4.5 14.0 1.0 N A:PRO161 4.5 14.6 1.0 CG A:GLU218 4.6 15.0 1.0 C A:ALA40 4.6 13.3 1.0 CB A:SER42 4.7 13.5 1.0 CA A:GLY41 4.7 14.9 1.0 CZ A:TYR236 4.7 12.8 1.0 CA A:ASP160 4.9 14.0 1.0 CG A:PRO161 4.9 14.7 1.0 C A:GLY74 4.9 15.3 1.0 O A:SER73 5.0 15.0 1.0 CB A:PRO161 5.0 14.2 1.0 C A:ASP160 5.0 14.6 1.0 C A:GLY41 5.0 13.9 1.0

Tungsten binding site 2 out of 2 in the Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of P. Furiosus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ B:W702 b:14.3 occ:0.90 W B:WO4702 0.0 14.3 0.9 O4 B:WO4702 1.7 7.5 1.0 O3 B:WO4702 1.8 6.8 1.0 O2 B:WO4702 1.8 9.8 1.0 O1 B:WO4702 1.8 9.4 1.0 OE1 B:GLU218 2.2 8.6 1.0 OD1 B:ASP160 2.2 11.4 1.0 CD B:GLU218 3.2 10.8 1.0 CG B:ASP160 3.3 12.8 1.0 OE2 B:GLU218 3.6 12.0 1.0 OD2 B:ASP160 3.7 11.0 1.0 N B:GLY41 3.9 11.7 1.0 CB B:ALA40 3.9 13.1 1.0 CD B:PRO161 4.1 11.2 1.0 CB B:ALA95 4.1 11.1 1.0 CE1 B:TYR236 4.2 11.6 1.0 OH B:TYR236 4.2 11.7 1.0 OG B:SER42 4.2 14.0 1.0 N B:SER42 4.2 11.8 1.0 OG B:SER75 4.3 12.8 1.0 N B:SER75 4.3 12.2 1.0 N B:CYS162 4.4 11.6 1.0 CA B:ALA40 4.4 13.8 1.0 CA B:GLY74 4.4 11.6 1.0 N B:PRO161 4.5 11.8 1.0 C B:ALA40 4.5 13.4 1.0 CB B:CYS162 4.5 10.0 1.0 CG B:GLU218 4.6 12.3 1.0 CB B:ASP160 4.6 12.8 1.0 CZ B:TYR236 4.7 11.8 1.0 CA B:GLY41 4.7 13.6 1.0 CB B:SER42 4.7 12.3 1.0 C B:GLY74 4.9 13.1 1.0 CA B:ASP160 4.9 11.9 1.0 O B:SER73 4.9 14.4 1.0

K.Hollenstein, M.Comellas-Bigler, L.E.Bevers, M.C.Feiters, W.Meyer-Klaucke, P.L.Hagedoorn, K.P.Locher. Distorted Octahedral Coordination of Tungstate in A Subfamily of Specific Binding Proteins. J.Biol.Inorg.Chem. V. 14 663 2009.
ISSN: ISSN 0949-8257
PubMed: 19234723
DOI: 10.1007/S00775-009-0479-7