Molybdenum in the structure of Structure of Dmso Reductase From Rhodobacter Capsulatus At pH 7.0 (pdb 3dmr)

The binding sites of Molybdenum atom in the structure of Structure of Dmso Reductase From Rhodobacter Capsulatus At pH 7.0 (pdb code 3dmr). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 3dmr structure was solved by A.S.MCALPINE, S.BAILEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.5 Space group P41212 a (A) 80.450 b (A) 80.450 c (A) 229.110 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 24.2 Molybdenum Binding Sites: Molybdenum binding site 1 out of 1 in 3dmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 3dmr. 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: Pgd782, A: Pgd783, A: O785, A: O786, A: Hoh1252, conact list: Atom Atom Distance (A) Mo OH A:Tyr114 4.21 Mo CD1 A:Trp116 4.78 Mo CZ2 A:Trp116 4.71 Mo CE2 A:Trp116 4.60 Mo NE1 A:Trp116 3.86 Mo C A:Tyr146 4.69 Mo N A:Ser147 4.06 Mo CB A:Ser147 3.15 Mo OG A:Ser147 1.83 Mo CA A:Ser147 3.88 Mo CE1 A:His643 4.59 Mo NE2 A:His649 4.40 Mo CE1 A:His649 4.43 Mo S13 A:Pgd782 2.56 Mo C11 A:Pgd782 4.96 Mo C13 A:Pgd782 3.53 Mo C12 A:Pgd782 3.51 Mo C14 A:Pgd782 4.98 Mo S12 A:Pgd782 2.43 Mo S13 A:Pgd783 2.49 Mo C13 A:Pgd783 3.64 Mo C12 A:Pgd783 3.67 Mo S12 A:Pgd783 2.46 Mo O A:O785 1.75 Mo O A:O786 1.83 Mo O A:Hoh1252 4.25 interactive model: