Manganese in the structure of Cryo-Structure of The Paracoccus Denitrificans Four-Subunit Cytochrome C Oxidase in the Completely Oxidized State Complexed With An Antibody Fv Fragment (pdb 1qle)

The binding sites of Manganese atom in the structure of Cryo-Structure of The Paracoccus Denitrificans Four-Subunit Cytochrome C Oxidase in the Completely Oxidized State Complexed With An Antibody Fv Fragment (pdb code 1qle). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1qle structure was solved by A.HARRENGA, H.MICHEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-3.0 Space group P4 a (A) 205.200 b (A) 205.200 c (A) 81.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.5 Rfree (%) 30.9 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1qle Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1qle. 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: His403, A: Asp404, B: Asp193, B: Ser217, B: Glu218, conact list: Atom Atom Distance (A) Mn NE2 A:His403 2.16 Mn ND1 A:His403 3.89 Mn CD2 A:His403 3.34 Mn CE1 A:His403 2.70 Mn CG A:His403 4.19 Mn CB A:Asp404 4.59 Mn OD2 A:Asp404 3.93 Mn OD1 A:Asp404 2.37 Mn CG A:Asp404 3.43 Mn OD2 B:Asp193 4.16 Mn OD1 B:Asp193 4.02 Mn CG B:Asp193 4.52 Mn O B:Ser217 4.10 Mn OE1 B:Glu218 4.07 Mn CB B:Glu218 4.06 Mn OE2 B:Glu218 2.23 Mn CD B:Glu218 3.32 Mn CG B:Glu218 4.25 Mn CA B:Glu218 4.33 interactive model: