Vanadium in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant H404A (pdb 1vng)

The binding sites of Vanadium atom in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant H404A (pdb code 1vng). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1vng 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) 8.0-2.2 Space group H3 a (A) 129.600 b (A) 129.600 c (A) 104.450 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18 Rfree (%) 21 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1vng Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1vng. 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: Ala404, A: Arg490, A: His496, A: Vo4610, A: Hoh1051, A: Hoh1089, A: Hoh1207, A: Hoh1210, conact list: Atom Atom Distance (A) V CE A:Lys353 4.94 V NZ A:Lys353 4.26 V CZ A:Arg360 4.65 V NH2 A:Arg360 4.27 V NH1 A:Arg360 4.10 V CE2 A:Phe397 4.31 V CZ A:Phe397 4.87 V CB A:Ser402 4.56 V OG A:Ser402 3.99 V C A:Ser402 4.39 V CA A:Ser402 4.27 V N A:Gly403 3.62 V C A:Gly403 4.89 V CA A:Gly403 4.41 V N A:Ala404 4.25 V CB A:Ala404 4.96 V CG A:Arg490 4.86 V NE2 A:His496 1.96 V ND1 A:His496 4.04 V CD2 A:His496 2.98 V CE1 A:His496 2.92 V CG A:His496 4.10 V O1 A:Vo4610 1.59 V O2 A:Vo4610 1.60 V O4 A:Vo4610 2.00 V O3 A:Vo4610 1.59 V V A:Vo4610 0.00 V O A:Hoh1051 4.76 V O A:Hoh1089 4.35 V O A:Hoh1207 3.49 V O A:Hoh1210 3.57 interactive model: