Vanadium in the structure of Crystal Structure of Native Vanadium-Containing Chloroperoxidase From Curvularia Inaequalis (pdb 1idq)

The binding sites of Vanadium atom in the structure of Crystal Structure of Native Vanadium-Containing Chloroperoxidase From Curvularia Inaequalis (pdb code 1idq). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1idq 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) 8.0-2.0 Space group H3 a (A) 131.720 b (A) 131.720 c (A) 112.460 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17 Rfree (%) n/a Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1idq Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1idq. 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: His404, A: Arg490, A: His496, A: Vo41578, A: Hoh1778, A: Hoh1911, conact list: Atom Atom Distance (A) V NZ A:Lys353 4.47 V CZ A:Arg360 4.50 V NH2 A:Arg360 4.14 V NH1 A:Arg360 3.98 V CZ A:Phe397 4.99 V CE1 A:Phe397 4.33 V CB A:Ser402 4.21 V OG A:Ser402 3.78 V C A:Ser402 4.32 V CA A:Ser402 4.11 V N A:Gly403 3.63 V C A:Gly403 4.88 V CA A:Gly403 4.49 V N A:His404 4.18 V CB A:His404 4.80 V ND1 A:His404 4.07 V CE1 A:His404 4.96 V CG A:His404 4.87 V CD A:Arg490 4.99 V CZ A:Arg490 4.44 V CG A:Arg490 4.91 V NE A:Arg490 3.97 V NH2 A:Arg490 3.96 V NE2 A:His496 2.07 V ND1 A:His496 4.17 V CD2 A:His496 3.04 V CE1 A:His496 3.07 V CG A:His496 4.18 V O1 A:Vo41578 1.60 V O2 A:Vo41578 1.61 V O4 A:Vo41578 1.88 V O3 A:Vo41578 1.63 V V A:Vo41578 0.00 V O A:Hoh1778 4.23 V O A:Hoh1911 4.44 interactive model: