Copper in the structure of Crystal Structure of Human Kallikrein 7 in Complex With Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper (pdb 2qxj)

The binding sites of Copper atom in the structure of Crystal Structure of Human Kallikrein 7 in Complex With Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper (pdb code 2qxj). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2qxj structure was solved by M.DEBELA, P.HESS, V.MAGDOLEN, N.M.SCHECHTER, W.BODE, P.GOETTIG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.1 Space group P1211 a (A) 45.609 b (A) 41.155 c (A) 52.742 alpha (°) 90.00 beta (°) 92.94 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 24.8 Copper Binding Sites: Copper binding site 1 out of 2 in 2qxj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2qxj. 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: Thr96, A: Gln97, A: His99, A: K7j300, A: Hoh625, A: Hoh641, conact list: Atom Atom Distance (A) Cu O A:Thr96 4.18 Cu O A:Gln97 4.43 Cu NE2 A:His99 2.18 Cu ND1 A:His99 4.25 Cu CD2 A:His99 3.05 Cu CE1 A:His99 3.20 Cu CG A:His99 4.21 Cu CBA A:K7j300 4.61 Cu CAZ A:K7j300 4.18 Cu O A:K7j300 4.90 Cu O A:Hoh625 2.74 Cu O A:Hoh641 2.34 interactive model: Copper binding site 2 out of 2 in 2qxj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2qxj. 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: Leu40, A: His41, A: Hoh660, conact list: Atom Atom Distance (A) Cu O A:Leu40 3.93 Cu C A:Leu40 4.64 Cu O A:His41 4.47 Cu NE2 A:His41 4.35 Cu N A:His41 4.56 Cu CB A:His41 3.66 Cu ND1 A:His41 2.32 Cu CD2 A:His41 4.43 Cu C A:His41 4.54 Cu CE1 A:His41 3.22 Cu CG A:His41 3.33 Cu CA A:His41 3.59 Cu O A:Hoh660 2.65 interactive model: