Tungsten in the structure of The Crystal Structure of the Tungstate Abc Transporter From Geobacter Sulfurreducens (pdb 3lr1)

The binding sites of Tungsten atom in the structure of The Crystal Structure of the Tungstate Abc Transporter From Geobacter Sulfurreducens (pdb code 3lr1). This binding sites where shown with 5.0 Angstroms radius around Tungsten atom. The 3lr1 structure was solved by R.ZHANG, L.VOLKART, K.BUCK, A.JOACHIMIAK, MIDWEST CENTER FORSTRUCTURAL GENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.5-1.8 Space group C2221 a (A) 69.736 b (A) 70.386 c (A) 91.161 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 26.5 Tungsten Binding Sites: Tungsten binding site 1 out of 2 in 3lr1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Tungsten in the PDB 3lr1. 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: Thr9, A: Ser11, A: Thr12, A: Thr40, A: His58, A: Arg118, A: Ser122, A: Gly123, A: Thr124, A: Hoh245, A: Hoh267, A: Hoh285, A: Hoh306, A: Hoh381, conact list: Atom Atom Distance (A) W CB A:Thr9 4.57 W CG2 A:Thr9 4.59 W OG1 A:Thr9 3.91 W CB A:Ser11 3.89 W OG A:Ser11 4.19 W OG1 A:Thr12 4.99 W OG1 A:Thr40 4.69 W O A:His58 4.81 W CZ A:Arg118 4.57 W NH2 A:Arg118 4.26 W NH1 A:Arg118 3.90 W CB A:Ser122 4.06 W OG A:Ser122 4.78 W CA A:Ser122 4.97 W N A:Gly123 4.59 W N A:Thr124 4.66 W CB A:Thr124 4.84 W OG1 A:Thr124 4.14 W O A:Hoh245 4.29 W O A:Hoh267 3.52 W O A:Hoh285 3.82 W O A:Hoh306 3.65 W O A:Hoh381 3.23 interactive model: Tungsten binding site 2 out of 2 in 3lr1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Tungsten in the PDB 3lr1. 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: Arg3, A: Lys32, A: Hoh274, conact list: Atom Atom Distance (A) W CZ A:Arg3 4.52 W NH2 A:Arg3 3.71 W NH1 A:Arg3 4.38 W CE A:Lys32 4.09 W CD A:Lys32 4.95 W NZ A:Lys32 4.56 W O A:Hoh274 4.92 interactive model: