Arsenic in the structure of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) (pdb 3psz)

The binding sites of Arsenic atom in the structure of Crystal Structure of Ahqnr, the Qnr Protein From Aeromonas Hydrophila (P21212 Crystal Form) (pdb code 3psz). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3psz structure was solved by X.XIONG, J.SPENCER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 41.5-2.2 Space group P21212 a (A) 88.730 b (A) 116.290 c (A) 55.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.1 Rfree (%) 27 Arsenic Binding Sites: Arsenic binding site 1 out of 4 in 3psz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3psz. 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: Cas6, A: Glu8, A: Arg26, A: Ile28, A: Po4227, conact list: Atom Atom Distance (A) As CB A:Cas6 3.06 As CE2 A:Cas6 1.99 As SG A:Cas6 2.23 As AS A:Cas6 0.00 As C A:Cas6 4.91 As CE1 A:Cas6 1.99 As CA A:Cas6 4.48 As OE1 A:Glu8 3.73 As CD A:Glu8 4.80 As CD A:Arg26 4.86 As CD1 A:Ile28 4.60 As O4 A:Po4227 4.88 interactive model: Arsenic binding site 2 out of 4 in 3psz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3psz. 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: Phe113, A: Cas114, A: Gln135, A: Cys136, A: Glu137, A: Gly155, A: Po4228, conact list: Atom Atom Distance (A) As O A:Phe113 4.73 As C A:Phe113 4.54 As N A:Cas114 3.98 As CB A:Cas114 3.21 As CE2 A:Cas114 1.99 As SG A:Cas114 2.21 As AS A:Cas114 0.00 As C A:Cas114 4.86 As CE1 A:Cas114 2.00 As CA A:Cas114 3.53 As O A:Gln135 3.64 As C A:Gln135 3.80 As CG A:Gln135 4.44 As CA A:Gln135 4.56 As O A:Cys136 3.74 As N A:Cys136 4.03 As C A:Cys136 3.68 As CA A:Cys136 4.10 As N A:Glu137 3.98 As CB A:Glu137 4.79 As CA A:Glu137 4.56 As O A:Gly155 4.79 As O3 A:Po4228 4.10 interactive model: Arsenic binding site 3 out of 4 in 3psz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 3psz. 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: Cas6, B: Arg26, B: Ile28, B: Po4222, conact list: Atom Atom Distance (A) As CB B:Cas6 3.05 As CE2 B:Cas6 2.00 As SG B:Cas6 2.23 As AS B:Cas6 0.00 As C B:Cas6 4.86 As CE1 B:Cas6 1.99 As CA B:Cas6 4.48 As CD B:Arg26 4.88 As CD1 B:Ile28 4.61 As O1 B:Po4222 4.67 interactive model: Arsenic binding site 4 out of 4 in 3psz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 3psz. 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: Phe113, B: Cas114, B: Gln135, B: Cys136, B: Glu137, B: Gly155, B: Po4224, conact list: Atom Atom Distance (A) As O B:Phe113 4.84 As C B:Phe113 4.62 As N B:Cas114 4.06 As CB B:Cas114 3.22 As CE2 B:Cas114 1.97 As SG B:Cas114 2.21 As AS B:Cas114 0.00 As C B:Cas114 4.92 As CE1 B:Cas114 2.00 As CA B:Cas114 3.59 As O B:Gln135 3.74 As C B:Gln135 3.83 As CG B:Gln135 4.56 As CA B:Gln135 4.63 As O B:Cys136 3.74 As N B:Cys136 3.90 As C B:Cys136 3.58 As CA B:Cys136 3.99 As N B:Glu137 3.79 As CB B:Glu137 4.73 As CA B:Glu137 4.46 As O B:Gly155 4.95 As O1 B:Po4224 4.01 interactive model: