Molybdenum in the structure of A New Catalytic Mechanism Of Periplasmic Nitrate Reductase From Desulfovibrio Desulfuricans Atcc 27774 From Crystallographic And Epr Data and Based on Detailed Analysis of the Sixth Ligand (pdb 2v3v)

The binding sites of Molybdenum atom in the structure of A New Catalytic Mechanism Of Periplasmic Nitrate Reductase From Desulfovibrio Desulfuricans Atcc 27774 From Crystallographic And Epr Data and Based on Detailed Analysis of the Sixth Ligand (pdb code 2v3v). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 2v3v structure was solved by S.NAJMUDIN, P.J.GONZALEZ, J.TRINCAO, C.COELHO, A.MUKHOPADHYAY, C.C.ROMAO, I.MOURA, J.J.MOURA, C.D.BRONDINO, M.J.ROMAO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 92.5-2.0 Space group P3121 a (A) 106.566 b (A) 106.566 c (A) 135.479 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.2 Rfree (%) 24.6 Molybdenum Binding Sites: Molybdenum binding site 1 out of 1 in 2v3v Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 2v3v. 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: Cys140, A: Met308, A: Gly345, A: Gln346, A: Arg617, A: His623, A: Mgd811, A: Mgd812, A: Unx813, conact list: Atom Atom Distance (A) Mo CB A:Cys140 3.19 Mo SG A:Cys140 2.37 Mo CA A:Cys140 4.42 Mo CE A:Met308 4.98 Mo SD A:Met308 4.79 Mo N A:Gly345 4.77 Mo C A:Gly345 4.68 Mo CA A:Gly345 4.28 Mo NE2 A:Gln346 4.82 Mo N A:Gln346 4.45 Mo CG A:Gln346 4.48 Mo NH1 A:Arg617 4.14 Mo NE2 A:His623 4.71 Mo CE1 A:His623 4.62 Mo S13 A:Mgd811 2.21 Mo C11 A:Mgd811 4.79 Mo C13 A:Mgd811 3.23 Mo C12 A:Mgd811 3.32 Mo C14 A:Mgd811 4.66 Mo S12 A:Mgd811 2.43 Mo S13 A:Mgd812 2.37 Mo C11 A:Mgd812 4.88 Mo C13 A:Mgd812 3.38 Mo C12 A:Mgd812 3.41 Mo C14 A:Mgd812 4.82 Mo S12 A:Mgd812 2.43 Mo UNK A:Unx813 2.31 interactive model: