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 |
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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 |
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