Molybdenum in the structure of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism And Provide Insights Into Ligand-Binding Specificity. Phosphate-Grown Form With Molybdate and Phosphate Bound (pdb 1h9j)

The binding sites of Molybdenum atom in the structure of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism And Provide Insights Into Ligand-Binding Specificity. Phosphate-Grown Form With Molybdate and Phosphate Bound (pdb code 1h9j). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 1h9j structure was solved by L.DELARBRE, C.E.M.STEVENSON, D.J.WHITE, L.A.MITCHENALL, R.N.PAU, D.M.LAWSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.8 Space group P321 a (A) 50.685 b (A) 50.685 c (A) 79.112 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20 Rfree (%) 26.6 Molybdenum Binding Sites: Molybdenum binding site 1 out of 2 in 1h9j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1h9j. 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: Ala92, A: Val93, A: Asn94, A: Moo1143, conact list: Atom Atom Distance (A) Mo N A:Ala92 4.35 Mo CB A:Ala92 4.53 Mo CA A:Ala92 4.93 Mo N A:Val93 4.43 Mo CG2 A:Val93 4.28 Mo N A:Asn94 4.41 Mo CB A:Asn94 4.60 Mo ND2 A:Asn94 4.34 Mo CG A:Asn94 4.94 Mo O1 A:Moo1143 1.76 Mo MO A:Moo1143 0.00 Mo O2 A:Moo1143 1.71 interactive model: Molybdenum binding site 2 out of 2 in 1h9j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1h9j. 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: Val111, A: Thr112, A: Ala115, A: Moo1144, A: Hoh2075, conact list: Atom Atom Distance (A) Mo CB A:Val111 4.41 Mo C A:Val111 4.67 Mo CG1 A:Val111 4.65 Mo CA A:Val111 4.35 Mo N A:Thr112 4.09 Mo CB A:Thr112 4.94 Mo CG2 A:Thr112 4.42 Mo OG1 A:Thr112 4.56 Mo CB A:Ala115 4.97 Mo O1 A:Moo1144 1.77 Mo MO A:Moo1144 0.00 Mo O2 A:Moo1144 1.78 Mo O4 A:Moo1144 1.77 Mo O3 A:Moo1144 1.80 Mo O A:Hoh2075 4.23 interactive model: