Tungsten in PDB 3cfx: Crystal Structure of M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate

The structure of Crystal Structure of M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cfx 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	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.500, 51.860, 124.048, 90.00, 116.93, 90.00
R / Rfree (%)	21 / 23.5

The structure of Crystal Structure of M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Tungsten atom in the Crystal Structure of M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate (pdb code 3cfx). 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 M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cfx:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the Crystal Structure of M. Acetivorans 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 M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ A:W701 b:20.4 occ:0.94 W A:WO4701 0.0 20.4 0.9 O4 A:WO4701 1.9 17.7 1.0 O2 A:WO4701 2.1 19.1 1.0 O3 A:WO4701 2.1 18.0 1.0 O1 A:WO4701 2.1 17.9 1.0 OD1 A:ASP161 2.2 16.0 1.0 OE1 A:GLU227 2.4 13.0 1.0 CG A:ASP161 3.3 17.8 1.0 CD A:GLU227 3.4 17.7 1.0 OD2 A:ASP161 3.6 18.5 1.0 OE2 A:GLU227 3.7 15.8 1.0 N A:GLY49 4.0 16.6 1.0 CB A:ALA48 4.0 16.2 1.0 CD A:PRO162 4.1 16.3 1.0 CB A:ALA98 4.2 16.1 1.0 OH A:TYR245 4.2 17.7 1.0 OG A:SER78 4.2 16.2 1.0 N A:SER50 4.3 15.8 1.0 N A:SER78 4.3 17.0 1.0 CE1 A:TYR245 4.3 16.5 1.0 OG A:SER50 4.3 16.7 1.0 N A:ALA163 4.4 15.1 1.0 CB A:ALA163 4.5 15.0 1.0 CA A:GLY77 4.5 14.3 1.0 N A:PRO162 4.5 15.4 1.0 CA A:ALA48 4.6 14.7 1.0 CB A:ASP161 4.6 15.1 1.0 C A:ALA48 4.6 15.4 1.0 CA A:GLY49 4.7 17.1 1.0 CG A:GLU227 4.7 16.4 1.0 CB A:SER50 4.8 16.2 1.0 CZ A:TYR245 4.8 15.7 1.0 CG A:PRO162 4.9 17.4 1.0 C A:GLY77 4.9 16.4 1.0 CA A:ASP161 4.9 16.6 1.0 CB A:PRO162 4.9 16.6 1.0 C A:GLY49 5.0 19.0 1.0

Tungsten binding site 2 out of 2 in the Crystal Structure of M. Acetivorans 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 M. Acetivorans Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ B:W702 b:23.1 occ:0.91 W B:WO4702 0.0 23.1 0.9 O3 B:WO4702 2.0 21.1 1.0 O1 B:WO4702 2.0 20.9 1.0 O2 B:WO4702 2.0 19.1 1.0 OE1 B:GLU227 2.2 17.8 1.0 O4 B:WO4702 2.2 23.4 1.0 OD1 B:ASP161 2.3 18.0 1.0 CD B:GLU227 3.3 24.3 1.0 CG B:ASP161 3.3 20.2 1.0 OE2 B:GLU227 3.7 21.3 1.0 OD2 B:ASP161 3.7 18.9 1.0 N B:GLY49 4.0 21.8 1.0 CD B:PRO162 4.0 18.7 1.0 CB B:ALA98 4.1 18.6 1.0 CB B:ALA48 4.1 20.9 1.0 OG B:SER78 4.2 19.2 1.0 N B:SER50 4.2 21.0 1.0 CE1 B:TYR245 4.3 19.5 1.0 OH B:TYR245 4.3 20.0 1.0 N B:SER78 4.3 20.3 1.0 OG B:SER50 4.4 21.2 1.0 N B:ALA163 4.4 19.1 1.0 N B:PRO162 4.5 16.8 1.0 CB B:ALA163 4.5 16.9 1.0 CA B:GLY77 4.5 19.8 1.0 CG B:GLU227 4.6 21.5 1.0 CA B:GLY49 4.6 20.8 1.0 CB B:ASP161 4.6 16.9 1.0 CA B:ALA48 4.6 22.0 1.0 C B:ALA48 4.7 21.7 1.0 CZ B:TYR245 4.8 20.1 1.0 CB B:SER50 4.8 24.3 1.0 CG B:PRO162 4.8 17.6 1.0 CB B:PRO162 4.9 16.5 1.0 CA B:ASP161 4.9 16.8 1.0 C B:GLY77 4.9 19.1 1.0 C B:GLY49 5.0 22.9 1.0 C B:ASP161 5.0 17.4 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