Arsenic in the structure of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 (pdb 3m1r)

The binding sites of Arsenic atom in the structure of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 (pdb code 3m1r). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3m1r structure was solved by K.TAN, L.BIGELOW, D.TREVINO, K.BUCK, A.JOACHIMIAK, MIDWEST CENTERFOR STRUCTURAL GENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.5-2.2 Space group P212121 a (A) 142.038 b (A) 118.980 c (A) 123.340 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 23 Arsenic Binding Sites: Arsenic binding site 1 out of 4 in 3m1r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3m1r. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Phe294, B: Phe294, B: Mse297, C: Phe294, C: Cac320, conact list: Atom Atom Distance (A) As CB A:Phe294 4.40 As CD1 A:Phe294 4.69 As CD2 A:Phe294 4.77 As CG A:Phe294 4.37 As CB B:Phe294 4.20 As CD1 B:Phe294 4.59 As CD2 B:Phe294 4.57 As CG B:Phe294 4.19 As SE B:Mse297 4.89 As CB C:Phe294 4.34 As CD1 C:Phe294 4.61 As CD2 C:Phe294 4.58 As CG C:Phe294 4.25 As O1 C:Cac320 1.61 As O1 C:Cac320 2.94 As O2 C:Cac320 1.61 As O2 C:Cac320 4.40 As AS C:Cac320 0.00 As AS C:Cac320 2.84 As C2 C:Cac320 1.96 As C2 C:Cac320 3.18 As C1 C:Cac320 1.96 As C1 C:Cac320 2.36 interactive model: Arsenic binding site 2 out of 4 in 3m1r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3m1r. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser249, A: Mse297, B: Ser249, C: Ser249, C: Cac320, conact list: Atom Atom Distance (A) As O A:Ser249 3.77 As C A:Ser249 4.69 As CA A:Ser249 4.81 As SE A:Mse297 4.64 As CE A:Mse297 4.45 As O B:Ser249 4.19 As C B:Ser249 4.99 As CA B:Ser249 4.90 As O C:Ser249 3.73 As CB C:Ser249 4.70 As C C:Ser249 4.47 As CA C:Ser249 4.36 As O1 C:Cac320 2.61 As O1 C:Cac320 1.61 As O2 C:Cac320 2.96 As O2 C:Cac320 1.60 As AS C:Cac320 2.84 As AS C:Cac320 0.00 As C2 C:Cac320 2.85 As C2 C:Cac320 1.96 As C1 C:Cac320 4.79 As C1 C:Cac320 1.97 interactive model: Arsenic binding site 3 out of 4 in 3m1r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 3m1r. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Ser249, D: Mse297, E: Ser249, E: Mse297, F: Ser249, F: Pro252, F: Mse297, E: Cac320, conact list: Atom Atom Distance (A) As O D:Ser249 4.13 As C D:Ser249 4.93 As CA D:Ser249 4.86 As SE D:Mse297 4.98 As CE D:Mse297 4.97 As O E:Ser249 4.19 As SE E:Mse297 4.92 As CE E:Mse297 4.86 As O F:Ser249 4.09 As C F:Ser249 4.91 As CA F:Ser249 4.91 As CG F:Pro252 4.89 As SE F:Mse297 4.71 As CE F:Mse297 4.71 As O1 E:Cac320 1.60 As O1 E:Cac320 2.57 As O2 E:Cac320 1.60 As O2 E:Cac320 4.27 As AS E:Cac320 0.00 As AS E:Cac320 2.67 As C2 E:Cac320 1.97 As C2 E:Cac320 2.81 As C1 E:Cac320 1.96 As C1 E:Cac320 2.71 interactive model: Arsenic binding site 4 out of 4 in 3m1r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 3m1r. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Phe294, D: Mse297, E: Phe294, F: Phe294, F: Mse297, E: Cac320, conact list: Atom Atom Distance (A) As CB D:Phe294 4.15 As CE2 D:Phe294 5.00 As CD1 D:Phe294 4.54 As CD2 D:Phe294 4.37 As CG D:Phe294 4.09 As SE D:Mse297 4.98 As CB E:Phe294 4.23 As CD1 E:Phe294 4.68 As CD2 E:Phe294 4.37 As CG E:Phe294 4.17 As CB F:Phe294 4.19 As CD1 F:Phe294 4.45 As CD2 F:Phe294 4.41 As CG F:Phe294 4.09 As SE F:Mse297 4.93 As O1 E:Cac320 3.10 As O1 E:Cac320 1.61 As O2 E:Cac320 4.16 As O2 E:Cac320 1.60 As AS E:Cac320 2.67 As AS E:Cac320 0.00 As C2 E:Cac320 1.95 As C2 E:Cac320 1.95 As C1 E:Cac320 3.02 As C1 E:Cac320 1.97 interactive model: