Vanadium in the structure of Crystal Structure Of The Peroxide Form of the Vanadium- Containing Chloroperoxidase From Curvularia Inaequalis (pdb 1idu)

The binding sites of Vanadium atom in the structure of Crystal Structure Of The Peroxide Form of the Vanadium- Containing Chloroperoxidase From Curvularia Inaequalis (pdb code 1idu). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1idu structure was solved by A.MESSERSCHMIDT, L.PRADE, R.WEVER, 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) 129.950 b (A) 129.950 c (A) 111.710 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.7 Rfree (%) n/a Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1idu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1idu. 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: His496, A: Vo41579, A: Hoh2000, conact list: Atom Atom Distance (A) V NZ A:Lys353 4.51 V CZ A:Arg360 4.29 V NH2 A:Arg360 3.81 V NH1 A:Arg360 3.83 V CG A:Pro395 4.91 V CZ A:Phe397 4.73 V CE1 A:Phe397 4.12 V CB A:Ser402 4.87 V OG A:Ser402 4.22 V C A:Ser402 4.82 V CA A:Ser402 4.62 V N A:Gly403 4.03 V CA A:Gly403 4.78 V N A:His404 4.63 V ND1 A:His404 4.58 V CZ A:Arg490 4.53 V NE A:Arg490 4.11 V NH2 A:Arg490 3.97 V NE2 A:His496 2.19 V ND1 A:His496 4.27 V CD2 A:His496 3.21 V CE1 A:His496 3.14 V CG A:His496 4.34 V O1 A:Vo41579 1.93 V O2 A:Vo41579 1.86 V O4 A:Vo41579 1.89 V O3 A:Vo41579 1.60 V V A:Vo41579 0.00 V O A:Hoh2000 4.39 interactive model: