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 |
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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 |
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