Vanadium in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant D292A (pdb 1vne)

The binding sites of Vanadium atom in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant D292A (pdb code 1vne). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1vne structure was solved by S.MACEDO-RIBEIRO, A.MESSERSCHMIDT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.1 Space group H3 a (A) 131.960 b (A) 131.960 c (A) 112.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18 Rfree (%) 22 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1vne Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1vne. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Vanadium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys353, A: Arg360, A: Phe397, A: Ser402, A: Gly403, A: His404, A: Arg490, A: His496, A: Vo4610, A: Hoh1053, A: Hoh1167, conact list: Atom Atom Distance (A) V NZ A:Lys353 4.39 V CZ A:Arg360 4.38 V NH2 A:Arg360 3.95 V NH1 A:Arg360 3.90 V CE2 A:Phe397 4.24 V CZ A:Phe397 4.84 V CB A:Ser402 4.56 V OG A:Ser402 3.96 V C A:Ser402 4.40 V CA A:Ser402 4.30 V N A:Gly403 3.59 V C A:Gly403 4.86 V CA A:Gly403 4.35 V N A:His404 4.24 V ND1 A:His404 4.28 V CZ A:Arg490 4.40 V NE A:Arg490 4.00 V NH2 A:Arg490 3.83 V NE2 A:His496 1.97 V ND1 A:His496 4.06 V CD2 A:His496 3.00 V CE1 A:His496 2.94 V CG A:His496 4.13 V O1 A:Vo4610 1.59 V O2 A:Vo4610 1.60 V O4 A:Vo4610 2.20 V O3 A:Vo4610 1.60 V V A:Vo4610 0.00 V O A:Hoh1053 4.67 V O A:Hoh1167 4.87 interactive model: