Arsenic in the structure of Crystal Structure Of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb (pdb 1l1d)

The binding sites of Arsenic atom in the structure of Crystal Structure Of the C-Terminal Methionine Sulfoxide Reductase Domain (Msrb) of N. Gonorrhoeae Pilb (pdb code 1l1d). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1l1d structure was solved by W.T.LOWTHER, H.WEISSBACH, F.ETIENNE, N.BROT, B.W.MATTHEWS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 27.2-1.9 Space group P21212 a (A) 67.354 b (A) 68.078 c (A) 62.777 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 23.7 Arsenic Binding Sites: Arsenic binding site 1 out of 3 in 1l1d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1l1d. 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: Thr403, A: Trp442, A: Gly479, A: His480, A: Cys495, A: Cac601, A: Hoh1, A: Hoh110, A: Hoh111, A: Hoh112, conact list: Atom Atom Distance (A) As CG2 A:Thr403 4.90 As OG1 A:Thr403 4.89 As CD2 A:Trp442 4.60 As CE3 A:Trp442 4.58 As CZ3 A:Trp442 4.73 As CZ2 A:Trp442 4.94 As CE2 A:Trp442 4.76 As CH2 A:Trp442 4.91 As C A:Gly479 4.86 As CA A:Gly479 4.68 As N A:His480 4.48 As CB A:His480 4.73 As ND1 A:His480 3.69 As CE1 A:His480 4.50 As CG A:His480 4.60 As O A:Cys495 4.31 As O A:Cys495 4.25 As CB A:Cys495 4.51 As CB A:Cys495 4.74 As SG A:Cys495 4.11 As O1 A:Cac601 1.81 As O2 A:Cac601 1.80 As AS A:Cac601 0.00 As C2 A:Cac601 1.97 As C1 A:Cac601 1.98 As O A:Hoh1 3.87 As O A:Hoh110 4.17 As O A:Hoh111 4.94 As O A:Hoh112 3.84 interactive model: Arsenic binding site 2 out of 3 in 1l1d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1l1d. 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: B: Lys387, B: Cac602, B: Hoh119, conact list: Atom Atom Distance (A) As NZ B:Lys387 4.45 As O1 B:Cac602 1.82 As O2 B:Cac602 1.78 As AS B:Cac602 0.00 As C2 B:Cac602 1.96 As C1 B:Cac602 1.98 As O B:Hoh119 4.40 interactive model: Arsenic binding site 3 out of 3 in 1l1d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 1l1d. 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: B: Glu393, B: Ala402, B: Thr403, B: Cac603, B: Hoh34, B: Hoh43, conact list: Atom Atom Distance (A) As OE1 B:Glu393 4.87 As OE2 B:Glu393 3.97 As CD B:Glu393 4.77 As CB B:Ala402 4.77 As O B:Thr403 3.94 As C B:Thr403 4.88 As O1 B:Cac603 1.82 As O2 B:Cac603 1.78 As AS B:Cac603 0.00 As C2 B:Cac603 1.97 As C1 B:Cac603 1.99 As O B:Hoh34 4.62 As O B:Hoh43 4.40 interactive model: