Arsenic in the structure of Crystal Structure of Blasticidin S Deaminase (Bsd) Mutant E56Q Complexed With Substrate (pdb 2z3i)

The binding sites of Arsenic atom in the structure of Crystal Structure of Blasticidin S Deaminase (Bsd) Mutant E56Q Complexed With Substrate (pdb code 2z3i). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2z3i structure was solved by T.KUMASAKA, M.YAMAMOTO, M.FURUICHI, M.NAKASAKO, M.KIMURA, I.YAMAGUCHI, T.UEKI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-1.8 Space group P212121 a (A) 55.330 b (A) 69.578 c (A) 145.990 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 22 Arsenic Binding Sites: Arsenic binding site 1 out of 4 in 2z3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2z3i. 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: Ser4, A: Glu6, A: Glu7, A: Cys73, A: Ala115, A: Cac3001, A: Hoh3076, conact list: Atom Atom Distance (A) As OG A:Ser4 4.84 As CG A:Glu6 4.74 As N A:Glu7 4.71 As OE1 A:Glu7 4.70 As CB A:Glu7 4.87 As CD A:Glu7 4.81 As CG A:Glu7 3.84 As CA A:Glu7 4.84 As CB A:Cys73 3.74 As SG A:Cys73 3.67 As CB A:Ala115 4.58 As O1 A:Cac3001 1.74 As O2 A:Cac3001 1.73 As AS A:Cac3001 0.00 As C2 A:Cac3001 1.96 As C1 A:Cac3001 1.96 As O A:Hoh3076 4.13 interactive model: Arsenic binding site 2 out of 4 in 2z3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2z3i. 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: Ser4, B: Glu7, B: Cys73, B: Lys103, B: Ala115, B: Cac3002, B: Hoh3021, B: Hoh3051, conact list: Atom Atom Distance (A) As OG B:Ser4 4.66 As OE1 B:Glu7 4.36 As CB B:Glu7 4.06 As OE2 B:Glu7 3.38 As CD B:Glu7 3.79 As CG B:Glu7 4.34 As CB B:Cys73 4.21 As SG B:Cys73 4.01 As CD B:Lys103 4.33 As NZ B:Lys103 4.85 As CB B:Ala115 4.07 As O1 B:Cac3002 1.73 As O2 B:Cac3002 1.74 As AS B:Cac3002 0.00 As C2 B:Cac3002 1.96 As C1 B:Cac3002 1.96 As O B:Hoh3021 3.48 As O B:Hoh3051 4.24 interactive model: Arsenic binding site 3 out of 4 in 2z3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2z3i. 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: C: Glu7, C: Leu10, C: Cys73, C: Ile105, C: Ala115, C: Cac3003, C: Hoh3086, C: Hoh3119, C: Hoh3120, conact list: Atom Atom Distance (A) As N C:Glu7 4.93 As OE1 C:Glu7 4.56 As CB C:Glu7 4.83 As CD C:Glu7 4.76 As CG C:Glu7 3.80 As CA C:Glu7 4.70 As CD1 C:Leu10 4.94 As CB C:Cys73 3.28 As SG C:Cys73 2.36 As CA C:Cys73 4.67 As CD1 C:Ile105 4.14 As CG1 C:Ile105 4.13 As CB C:Ala115 3.83 As O1 C:Cac3003 1.73 As O2 C:Cac3003 1.75 As AS C:Cac3003 0.00 As C2 C:Cac3003 1.98 As C1 C:Cac3003 1.98 As O C:Hoh3086 4.93 As O C:Hoh3119 4.80 As O C:Hoh3120 4.44 interactive model: Arsenic binding site 4 out of 4 in 2z3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 2z3i. 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: Glu7, D: Cys73, D: Lys103, D: Ala115, D: Cac3004, D: Hoh3082, D: Hoh3116, conact list: Atom Atom Distance (A) As N D:Glu7 4.80 As OE1 D:Glu7 3.77 As CB D:Glu7 3.91 As OE2 D:Glu7 4.59 As CD D:Glu7 4.11 As CG D:Glu7 4.63 As CA D:Glu7 4.73 As CB D:Cys73 3.81 As SG D:Cys73 3.40 As CE D:Lys103 4.74 As CB D:Ala115 3.97 As O1 D:Cac3004 1.74 As O2 D:Cac3004 1.74 As AS D:Cac3004 0.00 As C2 D:Cac3004 1.96 As C1 D:Cac3004 1.96 As O D:Hoh3082 4.41 As O D:Hoh3116 3.86 interactive model: