Magnesium in the structure of Nitrosylated Fe-Type Nitrile Hydratase (pdb 2zpb)

The binding sites of Magnesium atom in the structure of Nitrosylated Fe-Type Nitrile Hydratase (pdb code 2zpb). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2zpb structure was solved by K.HASHIMOTO, H.SUZUKI, K.TANIGUCHI, T.NOGUCHI, M.YOHDA, M.ODAKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.3 Space group C121 a (A) 114.657 b (A) 60.548 c (A) 81.920 alpha (°) 90.00 beta (°) 124.97 gamma (°) 90.00 Rfactor (%) 16.7 Rfree (%) 18.6 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 2zpb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2zpb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg174, A: Hoh1366, A: Hoh1384, A: Hoh1413, A: Hoh1429, A: Hoh1466, A: Hoh1476, A: Hoh1510, A: Hoh1525, A: Hoh1557, A: Hoh1583, A: Hoh1670, conact list: Atom Atom Distance (A) Mg CD A:Arg174 4.85 Mg CZ A:Arg174 4.91 Mg NE A:Arg174 5.00 Mg NH1 A:Arg174 4.64 Mg O A:Hoh1366 4.10 Mg O A:Hoh1384 2.09 Mg O A:Hoh1413 4.13 Mg O A:Hoh1429 4.26 Mg O A:Hoh1466 2.18 Mg O A:Hoh1476 2.14 Mg O A:Hoh1510 2.14 Mg O A:Hoh1525 1.92 Mg O A:Hoh1557 2.02 Mg O A:Hoh1583 3.23 Mg O A:Hoh1670 4.66 interactive model: Magnesium binding site 2 out of 3 in 2zpb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2zpb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly180, A: Gln185, A: Hoh1370, A: Hoh1374, A: Hoh1411, A: Hoh1522, A: Hoh1549, A: Hoh1559, A: Hoh1574, A: Hoh1582, conact list: Atom Atom Distance (A) Mg O A:Gly180 4.00 Mg C A:Gly180 4.91 Mg OE1 A:Gln185 4.08 Mg CD A:Gln185 4.97 Mg O A:Hoh1370 4.19 Mg O A:Hoh1374 2.04 Mg O A:Hoh1411 2.73 Mg O A:Hoh1522 4.42 Mg O A:Hoh1549 2.17 Mg O A:Hoh1559 2.53 Mg O A:Hoh1574 2.01 Mg O A:Hoh1582 1.98 interactive model: Magnesium binding site 3 out of 3 in 2zpb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2zpb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp2, B: Gly3, B: Asp6, B: Ala144, B: Hoh1321, B: Hoh1336, B: Hoh1371, B: Hoh1390, B: Hoh1392, B: Hoh1399, B: Hoh1405, B: Hoh1435, B: Hoh1483, conact list: Atom Atom Distance (A) Mg O B:Asp2 4.52 Mg CB B:Asp2 4.57 Mg C B:Asp2 4.67 Mg OD1 B:Asp2 4.64 Mg CG B:Asp2 4.69 Mg CA B:Asp2 4.73 Mg O B:Gly3 4.52 Mg O B:Asp6 4.40 Mg CB B:Asp6 4.51 Mg OD2 B:Asp6 4.39 Mg CG B:Asp6 4.65 Mg CB B:Ala144 4.41 Mg O B:Hoh1321 2.30 Mg O B:Hoh1336 4.39 Mg O B:Hoh1371 4.13 Mg O B:Hoh1390 2.16 Mg O B:Hoh1390 2.07 Mg O B:Hoh1392 1.99 Mg O B:Hoh1399 2.02 Mg O B:Hoh1405 2.06 Mg O B:Hoh1435 2.09 Mg O B:Hoh1435 3.04 Mg O B:Hoh1483 3.84 interactive model: