Copper in the structure of Camelid Heavy Chain Variable Domains Provide Efficient Combining Sites to Haptens (pdb 1qd0)

The binding sites of Copper atom in the structure of Camelid Heavy Chain Variable Domains Provide Efficient Combining Sites to Haptens (pdb code 1qd0). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1qd0 structure was solved by S.SPINELLI, L.G.J.FRENKEN, P.HERMANS, T.VERRIPS, K.BROWN, M.TEGONI, C.CAMBILLAU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 12.0-2.5 Space group P3221 a (A) 46.700 b (A) 46.700 c (A) 121.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21 Rfree (%) 28 Copper Binding Sites: Copper binding site 1 out of 2 in 1qd0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1qd0. 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: His34, A: Trp56, A: Rr61003, conact list: Atom Atom Distance (A) Cu NE2 A:His34 2.35 Cu ND1 A:His34 4.50 Cu CD2 A:His34 3.36 Cu CE1 A:His34 3.34 Cu CG A:His34 4.53 Cu CZ2 A:Trp56 4.52 Cu O28 A:Rr61003 2.04 Cu N2 A:Rr61003 2.57 Cu C11 A:Rr61003 4.24 Cu C15 A:Rr61003 4.75 Cu C6 A:Rr61003 4.27 Cu C5 A:Rr61003 2.98 Cu C4 A:Rr61003 2.83 Cu C10 A:Rr61003 2.89 Cu C9 A:Rr61003 4.58 Cu O29 A:Rr61003 2.22 Cu C14 A:Rr61003 4.18 Cu N1 A:Rr61003 2.05 Cu C3 A:Rr61003 3.20 interactive model: Copper binding site 2 out of 2 in 1qd0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1qd0. 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: His32, A: His34, A: Rr61003, A: Hoh1035, conact list: Atom Atom Distance (A) Cu NE2 A:His32 2.18 Cu ND1 A:His32 4.32 Cu CD2 A:His32 3.18 Cu CE1 A:His32 3.19 Cu CG A:His32 4.35 Cu CB A:His34 3.91 Cu ND1 A:His34 3.57 Cu CE1 A:His34 4.67 Cu CG A:His34 4.12 Cu C61 A:Rr61003 4.17 Cu C65 A:Rr61003 4.73 Cu C59 A:Rr61003 4.77 Cu C55 A:Rr61003 3.09 Cu C60 A:Rr61003 2.82 Cu N52 A:Rr61003 1.90 Cu C56 A:Rr61003 4.33 Cu O78 A:Rr61003 2.05 Cu C64 A:Rr61003 4.04 Cu C54 A:Rr61003 2.73 Cu N51 A:Rr61003 2.83 Cu O79 A:Rr61003 2.14 Cu C53 A:Rr61003 3.39 Cu O A:Hoh1035 4.31 interactive model: