Arsenic in the structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase (pdb 1wmb)

The binding sites of Arsenic atom in the structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase (pdb code 1wmb). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1wmb structure was solved by K.ITO, Y.NAKAJIMA, E.ICHIHARA, K.OGAWA, T.YOSHIMOTO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P21212 a (A) 64.336 b (A) 99.025 c (A) 110.229 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 24.7 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1wmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1wmb. 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: Gln94, A: Ser142, A: His144, A: Tyr155, A: Pro185, A: Gly186, A: Cac1302, A: Hoh1344, A: Hoh1346, A: Hoh1410, A: Hoh1418, A: Hoh1509, A: Hoh1513, conact list: Atom Atom Distance (A) As NE2 A:Gln94 4.55 As CB A:Ser142 4.53 As OG A:Ser142 3.71 As ND1 A:His144 4.86 As CZ A:Tyr155 4.50 As CE1 A:Tyr155 4.50 As OH A:Tyr155 3.78 As O A:Pro185 4.45 As O A:Gly186 4.01 As C A:Gly186 4.75 As O1 A:Cac1302 1.67 As O2 A:Cac1302 1.62 As AS A:Cac1302 0.00 As C2 A:Cac1302 1.77 As C1 A:Cac1302 1.96 As O A:Hoh1344 4.53 As O A:Hoh1346 3.91 As O A:Hoh1410 3.32 As O A:Hoh1418 4.19 As O A:Hoh1509 4.88 As O A:Hoh1513 4.69 interactive model: Arsenic binding site 2 out of 2 in 1wmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1wmb. 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: Gln94, B: Ser142, B: His144, B: Tyr155, B: Pro185, B: Gly186, B: Cac2302, B: Hoh2335, B: Hoh2342, B: Hoh2455, conact list: Atom Atom Distance (A) As NE2 B:Gln94 4.40 As CB B:Ser142 4.51 As OG B:Ser142 3.67 As ND1 B:His144 4.74 As CZ B:Tyr155 4.35 As CE1 B:Tyr155 4.25 As OH B:Tyr155 3.61 As O B:Pro185 4.44 As O B:Gly186 4.20 As C B:Gly186 4.88 As O1 B:Cac2302 1.66 As O2 B:Cac2302 1.60 As AS B:Cac2302 0.00 As C2 B:Cac2302 1.77 As C1 B:Cac2302 1.97 As O B:Hoh2335 3.97 As O B:Hoh2342 3.53 As O B:Hoh2455 4.68 interactive model: