Arsenic in the structure of The Flavoprotein Nrdi From Bacillus Cereus With the Initially Semiquinone Fmn Cofactor in An Intermediate Radiation Reduced State (pdb 2x2p)

The binding sites of Arsenic atom in the structure of The Flavoprotein Nrdi From Bacillus Cereus With the Initially Semiquinone Fmn Cofactor in An Intermediate Radiation Reduced State (pdb code 2x2p). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2x2p structure was solved by A.K.ROHR, H.P.HERSLETH, K.K.ANDERSSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.1 Space group P212121 a (A) 42.955 b (A) 45.485 c (A) 56.200 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) 19.12 Arsenic Binding Sites: Arsenic binding site 1 out of 1 in 2x2p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2x2p. 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: Tyr5, A: Ile16, A: His17, A: Zn1120, A: Cac1124, A: Hoh2016, A: Hoh2017, A: Hoh2033, A: Hoh2129, A: Hoh2137, A: Hoh2138, conact list: Atom Atom Distance (A) As CZ A:Tyr5 4.70 As CE1 A:Tyr5 4.81 As OH A:Tyr5 3.66 As CD1 A:Ile16 4.96 As NE2 A:His17 4.15 As CE1 A:His17 4.34 As ZN A:Zn1120 3.24 As O1 A:Cac1124 1.63 As O2 A:Cac1124 1.69 As AS A:Cac1124 0.00 As C2 A:Cac1124 1.90 As C1 A:Cac1124 1.89 As O A:Hoh2016 3.82 As O A:Hoh2017 4.99 As O A:Hoh2033 4.56 As O A:Hoh2129 4.80 As O A:Hoh2137 3.86 As O A:Hoh2138 4.11 interactive model: