Arsenic in the structure of The 2.2 Angstroms Crystal Structure of Transducin-Alpha Complexed With Gtp Gamma S (pdb 1tnd)

The binding sites of Arsenic atom in the structure of The 2.2 Angstroms Crystal Structure of Transducin-Alpha Complexed With Gtp Gamma S (pdb code 1tnd). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1tnd structure was solved by J.P.NOEL, H.E.HAMM, P.B.SIGLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.2 Space group P1211 a (A) 74.500 b (A) 108.300 c (A) 79.000 alpha (°) 90.00 beta (°) 112.30 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) n/a Arsenic Binding Sites: Arsenic binding site 1 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1tnd. 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: Tyr57, A: Ser58, A: Leu59, A: Cys62, A: Val164, A: Pro165, B: Ile180, A: Hoh370, A: Hoh424, A: Hoh483, A: Hoh549, conact list: Atom Atom Distance (A) As O A:Tyr57 4.96 As O A:Ser58 4.73 As CD2 A:Leu59 4.89 As CA A:Leu59 4.63 As CB A:Cys62 3.35 As SG A:Cys62 2.52 As CA A:Cys62 4.79 As CG2 A:Val164 4.43 As O A:Pro165 3.74 As C A:Pro165 4.89 As CD1 B:Ile180 4.07 As O A:Hoh370 4.52 As O A:Hoh424 3.93 As O A:Hoh483 4.65 As O A:Hoh549 4.48 interactive model: Arsenic binding site 2 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1tnd. 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: Ile180, A: Val197, A: Lys206, A: Trp207, A: Cys210, A: Hoh356, conact list: Atom Atom Distance (A) As CD1 A:Ile180 4.12 As CG2 A:Ile180 4.56 As CG1 A:Ile180 4.29 As CB A:Val197 3.76 As CG2 A:Val197 3.98 As CG1 A:Val197 3.95 As O A:Lys206 4.99 As CD1 A:Trp207 4.48 As C A:Trp207 4.95 As CG A:Trp207 4.88 As CA A:Trp207 4.43 As O A:Trp207 4.47 As CB A:Cys210 3.31 As SG A:Cys210 2.69 As CA A:Cys210 4.80 As O A:Hoh356 4.04 interactive model: Arsenic binding site 3 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 1tnd. 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: Ser58, B: Leu59, B: Cys62, B: Val164, B: Pro165, B: Hoh387, B: Hoh417, B: Hoh418, conact list: Atom Atom Distance (A) As O B:Ser58 4.74 As CA B:Leu59 4.61 As CB B:Cys62 3.42 As SG B:Cys62 2.48 As CA B:Cys62 4.79 As CG1 B:Val164 4.35 As O B:Pro165 3.65 As C B:Pro165 4.77 As O B:Hoh387 4.24 As O B:Hoh417 3.99 As O B:Hoh418 4.86 interactive model: Arsenic binding site 4 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 1tnd. 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: Ile180, B: Val197, B: Lys206, B: Trp207, B: Cys210, B: Hoh366, B: Hoh432, conact list: Atom Atom Distance (A) As CD1 B:Ile180 4.18 As CG2 B:Ile180 4.60 As CG1 B:Ile180 4.21 As CB B:Val197 3.83 As CG2 B:Val197 3.88 As CG1 B:Val197 4.05 As NZ B:Lys206 4.54 As CD1 B:Trp207 4.53 As CG B:Trp207 4.93 As CA B:Trp207 4.57 As O B:Trp207 4.52 As CB B:Cys210 3.42 As SG B:Cys210 2.58 As CA B:Cys210 4.85 As O B:Hoh366 4.09 As O B:Hoh432 2.76 interactive model: Arsenic binding site 5 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Arsenic in the PDB 1tnd. 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: Ile180, C: Ser58, C: Leu59, C: Cys62, C: Val164, C: Pro165, C: Hoh358, C: Hoh392, C: Hoh393, conact list: Atom Atom Distance (A) As CD1 A:Ile180 4.02 As O C:Ser58 4.53 As O C:Leu59 4.86 As N C:Leu59 5.00 As CD1 C:Leu59 4.93 As CA C:Leu59 4.50 As CB C:Cys62 3.25 As SG C:Cys62 2.57 As CA C:Cys62 4.69 As CG1 C:Val164 4.39 As O C:Pro165 3.52 As C C:Pro165 4.69 As O C:Hoh358 4.33 As O C:Hoh392 4.97 As O C:Hoh393 4.85 interactive model: Arsenic binding site 6 out of 6 in 1tnd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Arsenic in the PDB 1tnd. 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: C: Ile180, C: Val197, C: Lys206, C: Trp207, C: Cys210, C: Hoh376, conact list: Atom Atom Distance (A) As CB C:Ile180 5.00 As CD1 C:Ile180 4.33 As CG2 C:Ile180 4.37 As CG1 C:Ile180 4.30 As CB C:Val197 3.85 As CG2 C:Val197 4.01 As CG1 C:Val197 4.09 As NZ C:Lys206 4.70 As CD1 C:Trp207 4.32 As CG C:Trp207 4.86 As CA C:Trp207 4.45 As O C:Trp207 4.65 As NE1 C:Trp207 4.95 As CB C:Cys210 3.20 As SG C:Cys210 2.65 As CA C:Cys210 4.68 As O C:Hoh376 4.42 interactive model: