Vanadium in the structure of Crystal Structure of Heterodimeric L. Donovani Topoisomerase I-Vanadate-Dna Complex (pdb 2b9s)

The binding sites of Vanadium atom in the structure of Crystal Structure of Heterodimeric L. Donovani Topoisomerase I-Vanadate-Dna Complex (pdb code 2b9s). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 2b9s structure was solved by D.R.DAVIES, W.G.J.HOL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 43.5-2.3 Space group P212121 a (A) 72.433 b (A) 106.102 c (A) 126.691 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.1 Rfree (%) 27.5 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 2b9s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 2b9s. 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: C: Dt10, D: Da11, A: Arg314, A: Lys352, A: Arg410, A: His453, B: Tyr222, B: Vo4301, B: Hoh303, B: Hoh304, conact list: Atom Atom Distance (A) V C3' C:Dt10 2.99 V C1' C:Dt10 4.41 V O3' C:Dt10 1.77 V O4' C:Dt10 4.42 V C5' C:Dt10 4.45 V C2' C:Dt10 4.14 V C4' C:Dt10 3.44 V O4' D:Da11 4.70 V C5' D:Da11 2.86 V C4' D:Da11 4.23 V O5' D:Da11 2.01 V CZ A:Arg314 4.30 V NE A:Arg314 3.96 V NH2 A:Arg314 3.75 V CD A:Lys352 4.98 V NZ A:Lys352 4.20 V CZ A:Arg410 4.49 V NE A:Arg410 4.00 V NH2 A:Arg410 4.05 V NE2 A:His453 4.17 V CE2 B:Tyr222 4.34 V CD1 B:Tyr222 4.62 V CZ B:Tyr222 3.06 V CE1 B:Tyr222 3.26 V OH B:Tyr222 2.11 V O1 B:Vo4301 1.74 V O2 B:Vo4301 1.76 V V B:Vo4301 0.00 V O B:Hoh303 4.26 V O B:Hoh304 4.05 interactive model: