Arsenic in the structure of Crystal Structure of Mouse Fumarylacetoacetate Hydrolase Refined At 1.55 Angstrom Resolution (pdb 1qqj)

The binding sites of Arsenic atom in the structure of Crystal Structure of Mouse Fumarylacetoacetate Hydrolase Refined At 1.55 Angstrom Resolution (pdb code 1qqj). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1qqj structure was solved by D.E.TIMM, H.A.MUELLER, P.BHANUMOORTHY, J.M.HARP, G.J.BUNICK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.1-1.6 Space group P1211 a (A) 64.000 b (A) 109.020 c (A) 65.240 alpha (°) 90.00 beta (°) 95.68 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 21.1 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1qqj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1qqj. 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: Tyr128, A: His133, A: Glu199, A: Arg237, A: Gln240, A: Lys253, A: Cac2004, A: Hoh2057, A: Hoh2068, A: Hoh2072, conact list: Atom Atom Distance (A) As CD1 A:Tyr128 4.88 As CZ A:Tyr128 4.72 As CE1 A:Tyr128 4.07 As OH A:Tyr128 4.54 As NE2 A:His133 4.12 As CE1 A:His133 4.82 As OE1 A:Glu199 4.56 As OE2 A:Glu199 3.36 As CD A:Glu199 4.40 As CZ A:Arg237 4.96 As NH1 A:Arg237 3.91 As NE2 A:Gln240 4.00 As OE1 A:Gln240 4.78 As CD A:Gln240 4.85 As CE A:Lys253 4.51 As NZ A:Lys253 3.90 As O1 A:Cac2004 1.82 As O2 A:Cac2004 1.78 As AS A:Cac2004 0.00 As C2 A:Cac2004 1.97 As C1 A:Cac2004 1.99 As O A:Hoh2057 4.70 As O A:Hoh2068 3.78 As O A:Hoh2072 4.13 interactive model: Arsenic binding site 2 out of 2 in 1qqj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1qqj. 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: Tyr128, B: His133, B: Glu199, B: Arg237, B: Gln240, B: Lys253, B: Cac2003, B: Hoh2062, B: Hoh2090, B: Hoh2372, conact list: Atom Atom Distance (A) As CD1 B:Tyr128 4.83 As CZ B:Tyr128 4.77 As CE1 B:Tyr128 4.02 As OH B:Tyr128 4.58 As NE2 B:His133 3.98 As CE1 B:His133 4.72 As OE1 B:Glu199 4.43 As OE2 B:Glu199 3.38 As CD B:Glu199 4.34 As CZ B:Arg237 4.93 As NH1 B:Arg237 3.88 As NE2 B:Gln240 3.80 As OE1 B:Gln240 4.90 As CD B:Gln240 4.80 As CE B:Lys253 4.53 As NZ B:Lys253 3.94 As O1 B:Cac2003 1.81 As O2 B:Cac2003 1.78 As AS B:Cac2003 0.00 As C2 B:Cac2003 1.97 As C1 B:Cac2003 2.00 As O B:Hoh2062 4.91 As O B:Hoh2090 4.19 As O B:Hoh2372 4.91 interactive model: