Molybdenum in the structure of Crystal Structure of Bovine Milk Xanthine Dehydrogenase With Nadh Bound (pdb 3uni)

The binding sites of Molybdenum atom in the structure of Crystal Structure of Bovine Milk Xanthine Dehydrogenase With Nadh Bound (pdb code 3uni). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 3uni structure was solved by B.T.EGER, K.OKAMOTO, T.NISHINO, E.F.PAI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P1211 a (A) 100.036 b (A) 146.698 c (A) 107.016 alpha (°) 90.00 beta (°) 106.03 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 24 Molybdenum Binding Sites: Molybdenum binding site 1 out of 2 in 3uni Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 3uni. 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: Gln767, A: Phe798, A: Gly799, A: Glu802, A: Arg912, A: Ala1078, A: Ala1079, A: Glu1261, A: Mte1335, A: Mos1336, A: Hoh1440, conact list: Atom Atom Distance (A) Mo NE2 A:Gln767 4.58 Mo O A:Phe798 4.57 Mo C A:Phe798 4.44 Mo N A:Gly799 4.19 Mo CA A:Gly799 4.09 Mo OE2 A:Glu802 4.59 Mo N A:Arg912 4.64 Mo CA A:Arg912 4.58 Mo C A:Ala1078 4.70 Mo CB A:Ala1078 3.97 Mo CA A:Ala1078 4.22 Mo N A:Ala1079 4.11 Mo OE1 A:Glu1261 4.70 Mo OE2 A:Glu1261 3.39 Mo CD A:Glu1261 3.99 Mo CG A:Glu1261 4.47 Mo C3' A:Mte1335 4.67 Mo S1' A:Mte1335 2.41 Mo C6 A:Mte1335 4.77 Mo C1' A:Mte1335 3.35 Mo S2' A:Mte1335 2.31 Mo C2' A:Mte1335 3.30 Mo C4' A:Mte1335 4.95 Mo S A:Mos1336 2.39 Mo O1 A:Mos1336 2.22 Mo MO A:Mos1336 0.00 Mo O2 A:Mos1336 1.66 Mo O A:Hoh1440 3.82 interactive model: Molybdenum binding site 2 out of 2 in 3uni Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 3uni. 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: B: Gln767, B: Phe798, B: Gly799, B: Glu802, B: Arg912, B: Thr1077, B: Ala1078, B: Ala1079, B: Glu1261, B: Mte1335, B: Mos1336, B: Hoh1552, conact list: Atom Atom Distance (A) Mo NE2 B:Gln767 4.58 Mo O B:Phe798 4.46 Mo C B:Phe798 4.43 Mo N B:Gly799 4.29 Mo CA B:Gly799 4.17 Mo OE2 B:Glu802 4.67 Mo N B:Arg912 4.62 Mo CA B:Arg912 4.58 Mo O B:Thr1077 4.98 Mo C B:Ala1078 4.74 Mo CB B:Ala1078 3.94 Mo CA B:Ala1078 4.23 Mo N B:Ala1079 4.18 Mo OE1 B:Glu1261 4.52 Mo OE2 B:Glu1261 3.38 Mo CD B:Glu1261 3.92 Mo CG B:Glu1261 4.48 Mo C3' B:Mte1335 4.70 Mo S1' B:Mte1335 2.37 Mo C6 B:Mte1335 4.79 Mo C1' B:Mte1335 3.36 Mo S2' B:Mte1335 2.28 Mo C2' B:Mte1335 3.32 Mo C4' B:Mte1335 4.98 Mo S B:Mos1336 2.38 Mo O1 B:Mos1336 2.22 Mo MO B:Mos1336 0.00 Mo O2 B:Mos1336 1.68 Mo O B:Hoh1552 3.85 interactive model: