Copper in the structure of Agao in Covalent Complex With the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine") (pdb 1sih)

The binding sites of Copper atom in the structure of Agao in Covalent Complex With the Inhibitor Moba ("4-(4- Methylphenoxy)-2-Butyn-1-Amine") (pdb code 1sih). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1sih structure was solved by J.M.GUSS, D.B.LANGLEY, A.P.DUFF, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 22.8-1.7 Space group C121 a (A) 157.645 b (A) 62.787 c (A) 91.657 alpha (°) 90.00 beta (°) 112.18 gamma (°) 90.00 Rfactor (%) 14.9 Rfree (%) 16.8 Copper Binding Sites: Copper binding site 1 out of 1 in 1sih Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1sih. 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: Mbq382, A: Val406, A: His431, A: His433, A: His592, A: Pro594, A: Met602, A: Hoh1217, A: Hoh1368, A: Hoh1503, conact list: Atom Atom Distance (A) Cu HQ3 A:Mbq382 4.88 Cu HG11 A:Val406 4.76 Cu CD2 A:His431 2.98 Cu CG A:His431 4.12 Cu HD2 A:His431 3.15 Cu NE2 A:His431 2.04 Cu HE1 A:His431 3.25 Cu ND1 A:His431 4.12 Cu CE1 A:His431 3.04 Cu CD2 A:His433 3.02 Cu CG A:His433 4.17 Cu HD2 A:His433 3.19 Cu NE2 A:His433 2.06 Cu HE1 A:His433 3.24 Cu ND1 A:His433 4.15 Cu CE1 A:His433 3.04 Cu HB2 A:His592 3.15 Cu CB A:His592 3.35 Cu HB3 A:His592 3.18 Cu CD2 A:His592 4.19 Cu CG A:His592 3.06 Cu CA A:His592 4.87 Cu NE2 A:His592 4.15 Cu HE1 A:His592 3.22 Cu ND1 A:His592 2.06 Cu CE1 A:His592 3.04 Cu HG3 A:Pro594 4.78 Cu HE3 A:Met602 4.74 Cu SD A:Met602 4.79 Cu CE A:Met602 4.83 Cu CE A:Met602 4.92 Cu HE2 A:Met602 4.07 Cu HE2 A:Met602 4.56 Cu O A:Hoh1217 4.47 Cu O A:Hoh1368 2.65 Cu O A:Hoh1503 4.82 interactive model: