Vanadium in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant H496A (pdb 1vnh)

The binding sites of Vanadium atom in the structure of Chloroperoxidase From the Fungus Curvularia Inaequalis: Mutant H496A (pdb code 1vnh). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1vnh 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) 131.340 b (A) 131.340 c (A) 112.660 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19 Rfree (%) 23 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1vnh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1vnh. 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: Pro395, A: Phe397, A: Ser402, A: Gly403, A: His404, A: Arg490, A: Vo4610, A: Hoh1002, A: Hoh1004, A: Hoh1219, conact list: Atom Atom Distance (A) V CE A:Lys353 4.75 V NZ A:Lys353 4.28 V CZ A:Arg360 4.25 V NH2 A:Arg360 3.70 V NH1 A:Arg360 3.82 V CB A:Pro395 4.89 V CG A:Pro395 4.70 V CE2 A:Phe397 3.99 V CZ A:Phe397 4.55 V CB A:Ser402 4.85 V OG A:Ser402 4.11 V C A:Ser402 4.46 V CA A:Ser402 4.53 V N A:Gly403 3.56 V C A:Gly403 4.70 V CA A:Gly403 4.17 V N A:His404 4.11 V CB A:His404 4.93 V ND1 A:His404 4.30 V CZ A:Arg490 4.29 V NE A:Arg490 3.98 V NH2 A:Arg490 3.67 V O1 A:Vo4610 1.57 V O2 A:Vo4610 1.55 V O4 A:Vo4610 1.57 V O3 A:Vo4610 1.55 V V A:Vo4610 0.00 V O A:Hoh1002 3.91 V O A:Hoh1004 4.67 V O A:Hoh1219 3.14 interactive model: