The binding sites of Manganese atom in the structure of Chey From Thermotoga Maritima (Mn-III) (pdb code 3tmy). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3tmy structure was solved by K.C.USHER, A.DE LA CRUZ, F.W.DAHLQUIST, S.J.REMINGTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 20.0-2.2 | Space group | P212121 | a (A) | 109.658 | b (A) | 64.719 | c (A) | 33.810 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 18.2 | Rfree (%) | n/a |
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Manganese binding site 1 out of 2 in 3tmy
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3tmy. 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: Asp9, A: Asp10, A: Asp54, A: Thr56, A: Met57, A: Lys104, A: Hoh200, A: Hoh201, A: Hoh202, A: Hoh203, | conact list:
Atom | Atom | Distance (A) | Mn | OD2 A:Asp9 | 4.96 | Mn | OD1 A:Asp9 | 4.12 | Mn | CG A:Asp9 | 4.64 | Mn | N A:Asp10 | 4.52 | Mn | CB A:Asp10 | 4.42 | Mn | OD2 A:Asp10 | 3.09 | Mn | OD1 A:Asp10 | 2.13 | Mn | CG A:Asp10 | 2.94 | Mn | CA A:Asp10 | 4.98 | Mn | CB A:Asp54 | 4.47 | Mn | OD2 A:Asp54 | 2.18 | Mn | OD1 A:Asp54 | 3.87 | Mn | CG A:Asp54 | 3.35 | Mn | O A:Thr56 | 2.23 | Mn | N A:Thr56 | 4.48 | Mn | CB A:Thr56 | 4.39 | Mn | CG2 A:Thr56 | 4.88 | Mn | C A:Thr56 | 3.44 | Mn | CA A:Thr56 | 4.32 | Mn | N A:Met57 | 4.41 | Mn | CG A:Met57 | 4.24 | Mn | CA A:Met57 | 4.62 | Mn | NZ A:Lys104 | 4.69 | Mn | O A:Hoh200 | 2.46 | Mn | O A:Hoh201 | 2.07 | Mn | O A:Hoh202 | 2.34 | Mn | O A:Hoh203 | 4.36 |
| interactive model:
| Manganese binding site 2 out of 2 in 3tmy
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3tmy. 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: Asp9, B: Asp10, B: Asp54, B: Thr56, B: Met57, B: Lys104, B: Hoh200, B: Hoh201, B: Hoh202, B: Hoh203, | conact list:
Atom | Atom | Distance (A) | Mn | OD1 B:Asp9 | 4.16 | Mn | CG B:Asp9 | 4.98 | Mn | N B:Asp10 | 4.66 | Mn | CB B:Asp10 | 4.59 | Mn | OD2 B:Asp10 | 3.51 | Mn | OD1 B:Asp10 | 2.26 | Mn | CG B:Asp10 | 3.21 | Mn | CB B:Asp54 | 4.47 | Mn | OD2 B:Asp54 | 2.17 | Mn | OD1 B:Asp54 | 3.36 | Mn | CG B:Asp54 | 3.14 | Mn | O B:Thr56 | 2.18 | Mn | N B:Thr56 | 4.40 | Mn | CB B:Thr56 | 4.10 | Mn | CG2 B:Thr56 | 4.57 | Mn | C B:Thr56 | 3.34 | Mn | CA B:Thr56 | 4.09 | Mn | N B:Met57 | 4.35 | Mn | CB B:Met57 | 4.93 | Mn | CG B:Met57 | 4.20 | Mn | CA B:Met57 | 4.50 | Mn | NZ B:Lys104 | 4.25 | Mn | O B:Hoh200 | 2.27 | Mn | O B:Hoh201 | 2.45 | Mn | O B:Hoh202 | 2.37 | Mn | O B:Hoh203 | 4.21 |
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