Vanadium in the structure of Cre Recombinase-Dna Transition State (pdb 3mgv)

The binding sites of Vanadium atom in the structure of Cre Recombinase-Dna Transition State (pdb code 3mgv). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3mgv structure was solved by B.P.GIBB, K.GUPTA, K.GHOSH, R.SHARP, J.CHEN, G.D.VAN DUYNE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.6-2.3 Space group P3221 a (A) 136.046 b (A) 136.046 c (A) 218.431 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.3 Rfree (%) 22.2 Vanadium Binding Sites: Vanadium binding site 1 out of 2 in 3mgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3mgv. 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: B: Arg173, B: Lys201, B: His289, B: Arg292, B: Trp315, B: Ile320, B: Tyr324, E: Dg15, F: Dc1, B: Vo4690, B: Hoh347, conact list: Atom Atom Distance (A) V CZ B:Arg173 4.30 V NE B:Arg173 3.98 V NH2 B:Arg173 3.70 V CD B:Lys201 4.92 V NZ B:Lys201 3.90 V NE2 B:His289 3.91 V CD2 B:His289 4.93 V CE1 B:His289 4.71 V CD B:Arg292 4.84 V CZ B:Arg292 4.56 V NE B:Arg292 3.90 V NH2 B:Arg292 4.28 V NE1 B:Trp315 4.32 V CD1 B:Ile320 4.80 V CG1 B:Ile320 4.99 V CE2 B:Tyr324 4.26 V CD1 B:Tyr324 4.68 V CZ B:Tyr324 3.02 V CE1 B:Tyr324 3.31 V OH B:Tyr324 2.05 V C3' E:Dg15 3.00 V C1' E:Dg15 4.35 V O3' E:Dg15 1.77 V O4' E:Dg15 4.32 V C5' E:Dg15 4.54 V C2' E:Dg15 4.17 V C4' E:Dg15 3.43 V O4' F:Dc1 4.77 V C5' F:Dc1 2.95 V C4' F:Dc1 4.30 V O5' F:Dc1 2.08 V O1 B:Vo4690 1.86 V O2 B:Vo4690 1.91 V V B:Vo4690 0.00 V O B:Hoh347 4.02 interactive model: Vanadium binding site 2 out of 2 in 3mgv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Vanadium in the PDB 3mgv. 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: D: Arg173, D: Lys201, D: His289, D: Arg292, D: Trp315, D: Ile320, D: Tyr324, I: Dg15, K: Dc1, D: Vo4690, D: Hoh351, conact list: Atom Atom Distance (A) V CZ D:Arg173 4.32 V NE D:Arg173 3.99 V NH2 D:Arg173 3.72 V CD D:Lys201 4.91 V NZ D:Lys201 3.93 V NE2 D:His289 3.88 V CD2 D:His289 4.97 V CE1 D:His289 4.58 V CD D:Arg292 4.91 V CZ D:Arg292 4.62 V NE D:Arg292 3.97 V NH2 D:Arg292 4.32 V NE1 D:Trp315 4.40 V CD1 D:Ile320 4.78 V CE2 D:Tyr324 4.23 V CD1 D:Tyr324 4.64 V CZ D:Tyr324 3.00 V CE1 D:Tyr324 3.28 V OH D:Tyr324 2.00 V C3' I:Dg15 2.99 V C1' I:Dg15 4.33 V O3' I:Dg15 1.82 V O4' I:Dg15 4.28 V C5' I:Dg15 4.60 V C2' I:Dg15 4.18 V C4' I:Dg15 3.43 V O4' K:Dc1 4.62 V C5' K:Dc1 2.75 V C4' K:Dc1 4.15 V O5' K:Dc1 1.91 V O1 D:Vo4690 1.89 V O2 D:Vo4690 1.88 V V D:Vo4690 0.00 V O D:Hoh351 4.01 interactive model: