Arsenic in the structure of Crystal Structure Of the 35-36 8 Glycine Insertion Mutant of Ubiquitin (pdb 2gbm)

The binding sites of Arsenic atom in the structure of Crystal Structure Of the 35-36 8 Glycine Insertion Mutant of Ubiquitin (pdb code 2gbm). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2gbm structure was solved by D.M.FERRARO, D.J.FERRARO, S.RAMASWAMY, A.D.ROBERTSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.5-1.6 Space group P212121 a (A) 48.817 b (A) 49.786 c (A) 123.147 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.3 Rfree (%) 22.7 Arsenic Binding Sites: Arsenic binding site 1 out of 3 in 2gbm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2gbm. 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: Glu24, B: Lys27, B: Asp47, B: Asp60, C: Asp47, B: Hoh505, B: Hoh506, B: Hoh512, B: Hoh589, B: Hoh590, C: Hoh521, C: Hoh588, conact list: Atom Atom Distance (A) As OE1 B:Glu24 2.14 As CB B:Glu24 4.92 As OE2 B:Glu24 3.26 As CD B:Glu24 3.04 As CG B:Glu24 4.43 As CE B:Lys27 4.84 As CD B:Lys27 4.72 As NZ B:Lys27 3.92 As OD1 B:Asp47 3.78 As CG B:Asp47 4.87 As CA B:Asp47 4.88 As CB B:Asp60 3.30 As OD2 B:Asp60 1.99 As OD1 B:Asp60 4.13 As CG B:Asp60 2.97 As CA B:Asp60 4.81 As CB C:Asp47 4.09 As OD2 C:Asp47 2.13 As OD1 C:Asp47 2.40 As CG C:Asp47 2.57 As CA C:Asp47 5.00 As O B:Hoh505 4.82 As O B:Hoh506 4.10 As O B:Hoh512 4.21 As O B:Hoh589 2.11 As O B:Hoh590 2.01 As O C:Hoh521 4.03 As O C:Hoh588 4.59 interactive model: Arsenic binding site 2 out of 3 in 2gbm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2gbm. 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: Asp47, C: Glu24, C: Lys27, C: Asp47, C: Asp60, B: Hoh530, B: Hoh590, C: Hoh503, C: Hoh505, C: Hoh510, C: Hoh588, C: Hoh589, conact list: Atom Atom Distance (A) As CB B:Asp47 4.08 As OD2 B:Asp47 2.13 As OD1 B:Asp47 2.35 As CG B:Asp47 2.55 As CA B:Asp47 4.99 As OE1 C:Glu24 2.05 As CB C:Glu24 4.84 As OE2 C:Glu24 3.17 As CD C:Glu24 2.97 As CG C:Glu24 4.36 As CE C:Lys27 4.82 As CD C:Lys27 4.76 As NZ C:Lys27 3.95 As OD1 C:Asp47 3.75 As CG C:Asp47 4.84 As CA C:Asp47 4.94 As CB C:Asp60 3.30 As OD2 C:Asp60 1.99 As OD1 C:Asp60 4.15 As CG C:Asp60 2.99 As CA C:Asp60 4.85 As O B:Hoh530 4.29 As O B:Hoh590 4.57 As O C:Hoh503 4.02 As O C:Hoh505 4.97 As O C:Hoh510 4.16 As O C:Hoh588 2.04 As O C:Hoh589 2.18 interactive model: Arsenic binding site 3 out of 3 in 2gbm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2gbm. 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: Glu24, D: Lys27, D: Asp60, D: Hoh537, D: Hoh591, D: Hoh592, conact list: Atom Atom Distance (A) As OE1 D:Glu24 2.05 As CB D:Glu24 4.69 As OE2 D:Glu24 3.15 As CD D:Glu24 2.92 As CG D:Glu24 4.29 As CE D:Lys27 4.65 As CD D:Lys27 4.52 As NZ D:Lys27 3.92 As CB D:Asp60 3.32 As OD2 D:Asp60 2.02 As OD1 D:Asp60 4.07 As CG D:Asp60 2.96 As CA D:Asp60 4.84 As O D:Hoh537 4.85 As O D:Hoh591 2.21 As O D:Hoh592 2.26 interactive model: