The binding sites of Arsenic atom in the structure of Crystal Structure of the Q64V53_BACFR Protein From Bacteroides Fragilis. Northeast Structural Genomics Consortium Target BFR43 (pdb code 2ra8). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom.
The 2ra8 structure was solved by S.M.VOROBIEV, M.ABASHIDZE, J.SEETHARAMAN, D.WANG, K.CUNNINGHAM, M.MAGLAQUI, L.OWENS, R.XIAO, T.B.ACTON, G.T.MONTELIONE, J.F.HUNT, L.TONG, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 19.4-1.9 | | Space group | C121 | | a (A) | 108.261 | | b (A) | 65.237 | | c (A) | 60.008 | | alpha (°) | 90.00 | | beta (°) | 111.13 | | gamma (°) | 90.00 | | Rfactor (%) | 22.5 | | Rfree (%) | 24.7 |
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Arsenic binding site 1 out of 1 in 2ra8
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2ra8. 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: Cas116, A: Trp117, A: Gly118, A: Tyr119, A: Ile149, A: Glu153, A: Gln154, | conact list:
| Atom | Atom | Distance (A) | | As | N A:Cas116 | 4.74 | | As | CB A:Cas116 | 3.22 | | As | CE2 A:Cas116 | 1.95 | | As | SG A:Cas116 | 2.29 | | As | AS A:Cas116 | 0.00 | | As | C A:Cas116 | 4.39 | | As | CE1 A:Cas116 | 2.03 | | As | CA A:Cas116 | 3.56 | | As | N A:Trp117 | 4.36 | | As | O A:Gly118 | 3.90 | | As | N A:Gly118 | 5.00 | | As | CE1 A:Tyr119 | 4.92 | | As | CB A:Ile149 | 4.92 | | As | CD1 A:Ile149 | 4.30 | | As | CG2 A:Ile149 | 3.85 | | As | CG1 A:Ile149 | 4.77 | | As | CB A:Glu153 | 4.54 | | As | NE2 A:Gln154 | 4.63 | | As | OE1 A:Gln154 | 4.28 | | As | CB A:Gln154 | 4.96 | | As | CD A:Gln154 | 4.40 | | As | CG A:Gln154 | 4.99 |
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