Tungsten in the structure of Crystal Structure of Sure Protein From T.Maritima in Complex With Tungstate (pdb 1j9k)

The binding sites of Tungsten atom in the structure of Crystal Structure of Sure Protein From T.Maritima in Complex With Tungstate (pdb code 1j9k). This binding sites where shown with 5.0 Angstroms radius around Tungsten atom. The 1j9k structure was solved by S.W.SUH, J.Y.LEE, J.E.KWAK, J.MOON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.1 Space group P3121 a (A) 114.910 b (A) 114.910 c (A) 78.540 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.2 Rfree (%) 23.1 Tungsten Binding Sites: Tungsten binding site 1 out of 2 in 1j9k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Tungsten in the PDB 1j9k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp8, A: Ser39, A: Ala40, A: Asn95, A: Asn99, A: Ser107, A: Gly108, A: Thr109, A: Ca301, A: Wo4401, A: Hoh552, conact list: Atom Atom Distance (A) W OD2 A:Asp8 4.27 W OD1 A:Asp8 2.80 W CG A:Asp8 3.90 W CB A:Ser39 4.35 W OG A:Ser39 4.45 W C A:Ser39 4.78 W CA A:Ser39 4.35 W N A:Ala40 4.13 W ND2 A:Asn95 4.18 W OD1 A:Asn95 4.11 W CG A:Asn95 4.39 W ND2 A:Asn99 4.34 W OD1 A:Asn99 3.85 W CG A:Asn99 4.53 W CB A:Ser107 4.22 W OG A:Ser107 3.72 W C A:Ser107 4.47 W CA A:Ser107 4.04 W N A:Gly108 3.92 W CA A:Gly108 4.93 W N A:Thr109 4.48 W CB A:Thr109 4.86 W OG1 A:Thr109 4.17 W CA A:Ca301 3.81 W O1 A:Wo4401 1.74 W W A:Wo4401 0.00 W O2 A:Wo4401 1.74 W O4 A:Wo4401 1.74 W O3 A:Wo4401 1.74 W O A:Hoh552 4.13 interactive model: Tungsten binding site 2 out of 2 in 1j9k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Tungsten in the PDB 1j9k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp8, B: Ser39, B: Ala40, B: Asn95, B: Asn99, B: Ser107, B: Gly108, B: Thr109, B: Ca1301, B: Wo41401, B: Hoh1502, B: Hoh1516, B: Hoh1525, B: Hoh1542, B: Hoh1562, B: Hoh1572, conact list: Atom Atom Distance (A) W OD2 B:Asp8 4.31 W OD1 B:Asp8 2.77 W CG B:Asp8 3.89 W CB B:Ser39 4.30 W OG B:Ser39 4.53 W C B:Ser39 4.79 W CA B:Ser39 4.34 W N B:Ala40 4.16 W ND2 B:Asn95 4.07 W OD1 B:Asn95 3.87 W CG B:Asn95 4.24 W ND2 B:Asn99 3.94 W OD1 B:Asn99 4.21 W CG B:Asn99 4.53 W CB B:Ser107 4.33 W OG B:Ser107 4.92 W C B:Ser107 4.49 W CA B:Ser107 4.12 W N B:Gly108 3.89 W CA B:Gly108 4.87 W N B:Thr109 4.43 W CB B:Thr109 4.84 W OG1 B:Thr109 4.06 W CA B:Ca1301 3.77 W O1 B:Wo41401 1.73 W W B:Wo41401 0.00 W O2 B:Wo41401 1.74 W O4 B:Wo41401 1.74 W O3 B:Wo41401 1.73 W O B:Hoh1502 4.00 W O B:Hoh1516 4.44 W O B:Hoh1525 4.93 W O B:Hoh1542 4.20 W O B:Hoh1562 3.69 W O B:Hoh1572 3.79 interactive model: