Manganese in the structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed With BEF3- and MN2+ (pdb 3fgz)

The binding sites of Manganese atom in the structure of Crystal Structure of Chey Triple Mutant F14E, N59M, E89R Complexed With BEF3- and MN2+ (pdb code 3fgz). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3fgz structure was solved by A.C.WOLLISH, P.J.MILLER, Y.PAZY, E.J.COLLINS, R.B.BOURRET, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 80.8-2.0 Space group P212121 a (A) 53.534 b (A) 53.485 c (A) 161.853 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 22 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3fgz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3fgz. 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: Asp12, A: Asp13, A: Glu14, A: Asp57, A: Met59, A: Met60, A: Lys109, A: Bef130, A: Hoh151, A: Hoh156, A: Hoh192, conact list: Atom Atom Distance (A) Mn OD2 A:Asp12 4.75 Mn OD1 A:Asp12 3.95 Mn CG A:Asp12 4.58 Mn N A:Asp13 4.46 Mn CB A:Asp13 4.47 Mn OD2 A:Asp13 3.42 Mn OD1 A:Asp13 2.14 Mn CG A:Asp13 3.12 Mn CA A:Asp13 4.97 Mn OE1 A:Glu14 4.30 Mn CD A:Glu14 4.99 Mn CG A:Glu14 4.74 Mn CB A:Asp57 4.44 Mn OD2 A:Asp57 2.13 Mn OD1 A:Asp57 3.39 Mn CG A:Asp57 3.11 Mn O A:Met59 2.29 Mn N A:Met59 4.24 Mn CB A:Met59 4.22 Mn C A:Met59 3.42 Mn CA A:Met59 4.11 Mn N A:Met60 4.49 Mn CG A:Met60 4.30 Mn CA A:Met60 4.78 Mn NZ A:Lys109 4.55 Mn F3 A:Bef130 4.35 Mn F2 A:Bef130 4.50 Mn BE A:Bef130 3.22 Mn F1 A:Bef130 1.98 Mn O A:Hoh151 2.16 Mn O A:Hoh156 4.42 Mn O A:Hoh192 2.24 interactive model: Manganese binding site 2 out of 2 in 3fgz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3fgz. 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: Asp12, B: Asp13, B: Glu14, B: Asp57, B: Met59, B: Met60, B: Lys109, B: Bef130, B: Hoh147, B: Hoh178, B: Hoh205, conact list: Atom Atom Distance (A) Mn OD2 B:Asp12 4.82 Mn OD1 B:Asp12 3.92 Mn CG B:Asp12 4.62 Mn N B:Asp13 4.48 Mn CB B:Asp13 4.47 Mn OD2 B:Asp13 3.42 Mn OD1 B:Asp13 2.17 Mn CG B:Asp13 3.14 Mn CA B:Asp13 4.99 Mn OE1 B:Glu14 4.32 Mn CG B:Glu14 4.88 Mn CB B:Asp57 4.44 Mn OD2 B:Asp57 2.14 Mn OD1 B:Asp57 3.44 Mn CG B:Asp57 3.13 Mn O B:Met59 2.22 Mn N B:Met59 4.29 Mn CB B:Met59 4.18 Mn C B:Met59 3.40 Mn CA B:Met59 4.13 Mn N B:Met60 4.45 Mn CG B:Met60 4.25 Mn CA B:Met60 4.73 Mn NZ B:Lys109 4.61 Mn F3 B:Bef130 4.49 Mn F2 B:Bef130 1.95 Mn BE B:Bef130 3.22 Mn F1 B:Bef130 4.35 Mn O B:Hoh147 2.30 Mn O B:Hoh178 2.21 Mn O B:Hoh205 4.28 interactive model: