Vanadium in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant R360A (pdb 1vnf)

The binding sites of Vanadium atom in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant R360A (pdb code 1vnf). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1vnf 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) 8.0-2.4 Space group H3 a (A) 131.640 b (A) 131.640 c (A) 112.850 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19 Rfree (%) 23 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1vnf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1vnf. 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: Phe397, A: Ser402, A: Gly403, A: His404, A: Arg490, A: His496, A: Vo4610, A: Hoh1193, A: Hoh1217, conact list: Atom Atom Distance (A) V CE A:Lys353 4.92 V NZ A:Lys353 4.34 V CZ A:Phe397 4.64 V CE1 A:Phe397 4.20 V CB A:Ser402 4.47 V OG A:Ser402 3.80 V C A:Ser402 4.34 V CA A:Ser402 4.25 V N A:Gly403 3.61 V C A:Gly403 4.76 V CA A:Gly403 4.36 V N A:His404 4.06 V CB A:His404 4.69 V ND1 A:His404 4.18 V CG A:His404 4.87 V CD A:Arg490 4.99 V CZ A:Arg490 4.37 V CG A:Arg490 4.96 V NE A:Arg490 3.92 V NH2 A:Arg490 3.90 V NE2 A:His496 2.01 V ND1 A:His496 4.07 V CD2 A:His496 3.02 V CE1 A:His496 2.96 V CG A:His496 4.13 V O1 A:Vo4610 1.58 V O2 A:Vo4610 1.62 V O4 A:Vo4610 1.77 V O3 A:Vo4610 1.61 V V A:Vo4610 0.00 V O A:Hoh1193 4.30 V O A:Hoh1217 3.48 interactive model: