Vanadium in the structure of Smallpox Virus Topoisomerase-Dna Transition State (pdb 3igc)

The binding sites of Vanadium atom in the structure of Smallpox Virus Topoisomerase-Dna Transition State (pdb code 3igc). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3igc structure was solved by K.PERRY, Y.HWANG, F.D.BUSHMAN, G.D.VAN DUYNE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.1 Space group P42212 a (A) 103.999 b (A) 103.999 c (A) 93.010 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.7 Rfree (%) 24.4 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 3igc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3igc. 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: Arg130, A: Lys167, A: Arg223, A: His265, A: Tyr274, B: Dt511, C: Da512, A: Vo4600, A: Hoh319, A: Hoh404, conact list: Atom Atom Distance (A) V CZ A:Arg130 4.38 V NE A:Arg130 4.03 V NH2 A:Arg130 3.86 V NZ A:Lys167 4.31 V CD A:Arg223 4.88 V CZ A:Arg223 4.40 V NE A:Arg223 3.86 V NH2 A:Arg223 4.01 V ND1 A:His265 4.43 V CE2 A:Tyr274 3.40 V CD2 A:Tyr274 4.76 V CZ A:Tyr274 3.07 V CE1 A:Tyr274 4.30 V OH A:Tyr274 2.00 V C3' B:Dt511 3.03 V C1' B:Dt511 4.32 V O3' B:Dt511 1.79 V O4' B:Dt511 4.33 V C5' B:Dt511 4.77 V C2' B:Dt511 4.21 V C4' B:Dt511 3.55 V O4' C:Da512 4.60 V C5' C:Da512 2.80 V C4' C:Da512 4.18 V O5' C:Da512 1.85 V O1 A:Vo4600 1.76 V O2 A:Vo4600 1.83 V V A:Vo4600 0.00 V O A:Hoh319 4.05 V O A:Hoh404 4.30 interactive model: