Copper in the structure of Agao in Complex With WC5 (Ru-Wire Inhibitor, 5-Carbon Linker) (pdb 2cfk)

The binding sites of Copper atom in the structure of Agao in Complex With WC5 (Ru-Wire Inhibitor, 5-Carbon Linker) (pdb code 2cfk). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2cfk structure was solved by D.B.LANGLEY, A.P.DUFF, H.C.FREEMAN, J.M.GUSS, G.A.JUDA, D.M.DOOLEY, S.M.CONTAKES, N.W.HALPERN-MANNERS, A.R.DUNN, H.B.GRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.8 Space group C121 a (A) 157.885 b (A) 62.944 c (A) 92.013 alpha (°) 90.00 beta (°) 112.20 gamma (°) 90.00 Rfactor (%) 14.5 Rfree (%) 16.5 Copper Binding Sites: Copper binding site 1 out of 1 in 2cfk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2cfk. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Tpq382, A: Val406, A: His431, A: His433, A: His592, A: Pro594, A: Met602, A: Hoh2188, A: Hoh2252, A: Hoh2269, A: Hoh2271, conact list: Atom Atom Distance (A) Cu H3 A:Tpq382 4.75 Cu O2 A:Tpq382 4.93 Cu HG11 A:Val406 4.84 Cu CD2 A:His431 2.95 Cu CG A:His431 4.13 Cu HD2 A:His431 3.08 Cu NE2 A:His431 2.06 Cu HE1 A:His431 3.34 Cu ND1 A:His431 4.16 Cu CE1 A:His431 3.10 Cu CD2 A:His433 3.02 Cu CG A:His433 4.17 Cu HD2 A:His433 3.17 Cu NE2 A:His433 2.07 Cu HE1 A:His433 3.29 Cu ND1 A:His433 4.17 Cu CE1 A:His433 3.08 Cu HB2 A:His592 3.22 Cu CB A:His592 3.37 Cu HB3 A:His592 3.17 Cu CD2 A:His592 4.18 Cu CG A:His592 3.05 Cu CA A:His592 4.89 Cu NE2 A:His592 4.14 Cu HE1 A:His592 3.19 Cu ND1 A:His592 2.04 Cu CE1 A:His592 3.02 Cu HG3 A:Pro594 4.75 Cu HE3 A:Met602 4.69 Cu SD A:Met602 4.80 Cu SD A:Met602 4.87 Cu CE A:Met602 4.77 Cu CE A:Met602 4.96 Cu HE2 A:Met602 3.96 Cu HE2 A:Met602 4.66 Cu O A:Hoh2188 4.44 Cu O A:Hoh2252 4.71 Cu O A:Hoh2269 2.54 Cu O A:Hoh2271 2.46 interactive model: