Manganese in the structure of Dna Binding and Cleavage By the Hnh Homing Endonuclease I-Hmui (pdb 1u3e)

The binding sites of Manganese atom in the structure of Dna Binding and Cleavage By the Hnh Homing Endonuclease I-Hmui (pdb code 1u3e). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1u3e structure was solved by B.W.SHEN, M.LANDTHALER, D.A.SHUB, B.L.STODDARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.9 Space group I222 a (A) 45.000 b (A) 108.300 c (A) 248.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 24.7 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1u3e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1u3e. 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: B: Dc22, C: Dg23, M: Asp74, M: His75, M: Asn96, M: Asn99, M: Arg103, M: Hoh420, M: Hoh421, M: Hoh422, conact list: Atom Atom Distance (A) Mn C3' B:Dc22 3.66 Mn O3' B:Dc22 2.67 Mn C2' B:Dc22 4.70 Mn C4' B:Dc22 4.72 Mn OP1 C:Dg23 4.21 Mn P C:Dg23 3.70 Mn OP2 C:Dg23 4.74 Mn O5' C:Dg23 4.34 Mn OP3 C:Dg23 2.28 Mn CB M:Asp74 4.43 Mn OD2 M:Asp74 4.33 Mn OD1 M:Asp74 2.47 Mn CG M:Asp74 3.56 Mn CA M:Asp74 4.85 Mn O M:His75 4.10 Mn N M:His75 4.47 Mn C M:His75 4.85 Mn O M:Asn96 4.67 Mn CB M:Asn96 4.84 Mn ND2 M:Asn96 3.81 Mn OD1 M:Asn96 2.43 Mn CG M:Asn96 3.46 Mn ND2 M:Asn99 4.20 Mn NH1 M:Arg103 4.75 Mn O M:Hoh420 1.91 Mn O M:Hoh421 1.86 Mn O M:Hoh422 3.40 interactive model: