Manganese in the structure of ABH2 Cross-Linked to Undamaged Dsdna-2 With Cofactors (pdb 3s5a)

The binding sites of Manganese atom in the structure of ABH2 Cross-Linked to Undamaged Dsdna-2 With Cofactors (pdb code 3s5a). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3s5a structure was solved by C.YI, B.CHEN, B.QI, B.RAMIREZ, W.ZHANG, G.JIA, L.ZHANG, C.Q.LI, A.R.DINNER, C.-G.YANG, C.HE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group P1211 a (A) 45.968 b (A) 60.610 c (A) 65.588 alpha (°) 90.00 beta (°) 90.52 gamma (°) 90.00 Rfactor (%) 19.7 Rfree (%) 23.8 Manganese Binding Sites: Manganese binding site 1 out of 1 in 3s5a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3s5a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His171, A: Asp173, A: His236, A: Arg254, A: Akg259, A: Hoh265, conact list: Atom Atom Distance (A) Mn NE2 A:His171 2.13 Mn ND1 A:His171 4.16 Mn CD2 A:His171 3.10 Mn CE1 A:His171 3.06 Mn CG A:His171 4.22 Mn N A:Asp173 4.64 Mn CB A:Asp173 4.46 Mn OD2 A:Asp173 3.33 Mn OD1 A:Asp173 2.16 Mn CG A:Asp173 3.09 Mn CA A:Asp173 4.80 Mn NE2 A:His236 2.23 Mn ND1 A:His236 4.29 Mn CD2 A:His236 3.20 Mn CE1 A:His236 3.18 Mn CG A:His236 4.33 Mn NH2 A:Arg254 4.54 Mn O5 A:Akg259 2.20 Mn O2 A:Akg259 2.21 Mn C4 A:Akg259 4.81 Mn C1 A:Akg259 2.92 Mn O1 A:Akg259 4.10 Mn C3 A:Akg259 4.38 Mn C2 A:Akg259 2.91 Mn O A:Hoh265 2.25 interactive model: