Arsenic in the structure of Crystal Structure Of the Ubiquitin-Like Domain of Plexin D1 (pdb 3h6n)

The binding sites of Arsenic atom in the structure of Crystal Structure Of the Ubiquitin-Like Domain of Plexin D1 (pdb code 3h6n). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3h6n structure was solved by Y.TONG, L.NEDYALKOVA, W.TEMPEL, F.MACKENZIE, C.H.ARROWSMITH, A.M.EDWARDS, C.BOUNTRA, J.WEIGELT, A.BOCHKAREV, M.BUCK, H.PARK, STRUCTURAL GENOMICS CONSORTIUM (SGC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.0 Space group C121 a (A) 81.777 b (A) 27.051 c (A) 52.653 alpha (°) 90.00 beta (°) 114.06 gamma (°) 90.00 Rfactor (%) 24.3 Rfree (%) 27.6 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3h6n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3h6n. 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: Phe1591, A: Cys1592, A: Val1595, A: Pro1601, A: Hoh7, conact list: Atom Atom Distance (A) As O A:Phe1591 4.08 As C A:Phe1591 4.30 As O A:Cys1592 4.96 As N A:Cys1592 4.10 As CB A:Cys1592 3.12 As SG A:Cys1592 2.28 As C A:Cys1592 4.71 As CA A:Cys1592 3.46 As CB A:Val1595 4.57 As CG2 A:Val1595 4.21 As CG1 A:Val1595 4.94 As CD A:Pro1601 4.72 As O A:Hoh7 4.64 interactive model: Arsenic binding site 2 out of 2 in 3h6n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3h6n. 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: Phe1562, A: Gln1563, A: Gly1564, A: Cys1565, A: Mse1567, A: Leu1654, conact list: Atom Atom Distance (A) As O A:Phe1562 4.83 As CE2 A:Phe1562 4.29 As CD2 A:Phe1562 4.20 As CZ A:Phe1562 4.91 As CG A:Phe1562 4.79 As O A:Gln1563 4.26 As C A:Gln1563 4.83 As C A:Gly1564 4.39 As CA A:Gly1564 4.62 As N A:Cys1565 3.94 As CB A:Cys1565 3.93 As SG A:Cys1565 2.34 As CA A:Cys1565 4.56 As SE A:Mse1567 4.82 As CD1 A:Leu1654 4.61 interactive model: