Molybdenum in the structure of Sulfite Dehydrogenase From Starkeya Novella R55M Mutant (pdb 2ca3)

The binding sites of Molybdenum atom in the structure of Sulfite Dehydrogenase From Starkeya Novella R55M Mutant (pdb code 2ca3). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 2ca3 structure was solved by S.BAILEY, U.KAPPLER, C.FENG, M.J.HONEYCHURCH, P.V.BERNHARDT, G.TOLLIN, J.H.ENEMARK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P21212 a (A) 97.654 b (A) 93.321 c (A) 56.035 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.1 Rfree (%) 20.6 Molybdenum Binding Sites: Molybdenum binding site 1 out of 1 in 2ca3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 2ca3. 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: Met55, A: Cys104, A: Ser105, A: Gly210, A: Thr211, A: Tyr236, A: Mss1374, A: So41375, conact list: Atom Atom Distance (A) Mo CB A:Met55 4.91 Mo N A:Cys104 4.72 Mo CB A:Cys104 3.62 Mo SG A:Cys104 2.77 Mo C A:Cys104 4.11 Mo CA A:Cys104 3.53 Mo N A:Ser105 3.64 Mo CB A:Ser105 4.54 Mo OG A:Ser105 4.38 Mo CA A:Ser105 4.70 Mo N A:Gly210 4.86 Mo C A:Gly210 4.42 Mo CA A:Gly210 4.71 Mo N A:Thr211 3.94 Mo CB A:Thr211 4.49 Mo CA A:Thr211 4.36 Mo CZ A:Tyr236 4.65 Mo CE1 A:Tyr236 4.48 Mo OH A:Tyr236 4.01 Mo C3' A:Mss1374 4.74 Mo S1' A:Mss1374 2.42 Mo C6 A:Mss1374 4.68 Mo C1' A:Mss1374 3.24 Mo S2' A:Mss1374 2.42 Mo OM1 A:Mss1374 1.71 Mo MOM1 A:Mss1374 0.00 Mo C2' A:Mss1374 3.26 Mo S A:So41375 4.25 Mo O2 A:So41375 4.54 Mo O4 A:So41375 2.95 Mo O3 A:So41375 4.83 interactive model: