Molybdenum in the structure of Dmso Reductase Modified By the Presence of Dms and Air (pdb 1h5n)

The binding sites of Molybdenum atom in the structure of Dmso Reductase Modified By the Presence of Dms and Air (pdb code 1h5n). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 1h5n structure was solved by S.BAILEY, B.ADAMS, A.T.SMITH, R.L.RICHARDS, D.J.LOWE, R.C.BRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P212121 a (A) 68.800 b (A) 116.100 c (A) 230.400 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.8 Rfree (%) 20.9 Molybdenum Binding Sites: Molybdenum binding site 1 out of 2 in 1h5n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1h5n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Tyr114, A: Trp116, A: Tyr146, A: Ser147, A: His643, A: His649, A: Pgd1782, A: Pgd1783, A: Hoh2172, conact list: Atom Atom Distance (A) Mo OH A:Tyr114 4.34 Mo CD1 A:Trp116 4.92 Mo CZ2 A:Trp116 4.92 Mo CE2 A:Trp116 4.80 Mo NE1 A:Trp116 4.03 Mo O A:Tyr146 4.88 Mo C A:Tyr146 4.46 Mo O A:Ser147 4.93 Mo N A:Ser147 3.58 Mo CB A:Ser147 2.61 Mo OG A:Ser147 1.85 Mo C A:Ser147 4.49 Mo CA A:Ser147 3.13 Mo NE2 A:His643 4.99 Mo CE1 A:His643 4.18 Mo NE2 A:His649 4.51 Mo CE1 A:His649 4.31 Mo S13 A:Pgd1782 2.41 Mo C13 A:Pgd1782 3.45 Mo C12 A:Pgd1782 3.53 Mo C14 A:Pgd1782 4.87 Mo S12 A:Pgd1782 2.48 Mo S13 A:Pgd1783 2.44 Mo C11 A:Pgd1783 4.96 Mo C13 A:Pgd1783 3.45 Mo C12 A:Pgd1783 3.51 Mo C14 A:Pgd1783 4.87 Mo S12 A:Pgd1783 2.47 Mo O A:Hoh2172 4.72 interactive model: Molybdenum binding site 2 out of 2 in 1h5n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1h5n. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Tyr114, C: Trp116, C: Tyr146, C: Ser147, C: His643, C: His649, C: Pgd1782, C: Pgd1783, C: Hoh2139, conact list: Atom Atom Distance (A) Mo OH C:Tyr114 4.18 Mo CD1 C:Trp116 4.95 Mo CZ2 C:Trp116 4.95 Mo CE2 C:Trp116 4.83 Mo NE1 C:Trp116 4.06 Mo O C:Tyr146 4.89 Mo C C:Tyr146 4.38 Mo O C:Ser147 4.97 Mo N C:Ser147 3.54 Mo CB C:Ser147 2.69 Mo OG C:Ser147 1.87 Mo C C:Ser147 4.51 Mo CA C:Ser147 3.14 Mo CE1 C:His643 4.36 Mo NE2 C:His649 4.51 Mo CE1 C:His649 4.38 Mo S13 C:Pgd1782 2.40 Mo C11 C:Pgd1782 4.97 Mo C13 C:Pgd1782 3.39 Mo C12 C:Pgd1782 3.47 Mo C14 C:Pgd1782 4.80 Mo S12 C:Pgd1782 2.49 Mo S13 C:Pgd1783 2.48 Mo C13 C:Pgd1783 3.56 Mo C12 C:Pgd1783 3.57 Mo C14 C:Pgd1783 4.96 Mo S12 C:Pgd1783 2.47 Mo O C:Hoh2139 4.48 interactive model: