Copper in the structure of Crystal Structure of Manduca Sexta Prophenoloxidase (pdb 3hhs)

The binding sites of Copper atom in the structure of Crystal Structure of Manduca Sexta Prophenoloxidase (pdb code 3hhs). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3hhs structure was solved by Y.LI, Y.WANG, H.JIANG, J.DENG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.5-2.0 Space group P21212 a (A) 148.832 b (A) 153.664 c (A) 75.763 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.4 Rfree (%) 19.4 Copper Binding Sites: Copper binding site 1 out of 4 in 3hhs Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3hhs. 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: His215, A: Trp218, A: His219, A: Met244, A: His245, A: Glu395, A: Phe404, A: His408, A: Cu697, A: Hoh759, conact list: Atom Atom Distance (A) Cu NE2 A:His215 2.10 Cu ND1 A:His215 4.07 Cu CD2 A:His215 2.99 Cu CE1 A:His215 3.03 Cu CG A:His215 4.08 Cu CE3 A:Trp218 4.96 Cu NE2 A:His219 2.06 Cu ND1 A:His219 4.17 Cu CD2 A:His219 3.06 Cu CE1 A:His219 3.05 Cu CG A:His219 4.21 Cu CE A:Met244 4.09 Cu NE2 A:His245 1.99 Cu ND1 A:His245 4.05 Cu CD2 A:His245 3.06 Cu CE1 A:His245 2.88 Cu CG A:His245 4.15 Cu OE1 A:Glu395 3.75 Cu CD A:Glu395 4.93 Cu CZ A:Phe404 4.63 Cu CE1 A:Phe404 4.70 Cu NE2 A:His408 4.56 Cu CE1 A:His408 4.74 Cu CU A:Cu697 4.86 Cu O A:Hoh759 2.65 interactive model: Copper binding site 2 out of 4 in 3hhs Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3hhs. 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: His368, A: His372, A: Phe404, A: Val407, A: His408, A: Cu696, A: Hoh759, conact list: Atom Atom Distance (A) Cu NE2 A:His368 2.13 Cu ND1 A:His368 4.18 Cu CD2 A:His368 2.96 Cu CE1 A:His368 3.16 Cu CG A:His368 4.11 Cu NE2 A:His372 2.05 Cu ND1 A:His372 4.06 Cu CD2 A:His372 3.13 Cu CE1 A:His372 2.92 Cu CG A:His372 4.20 Cu CD1 A:Phe404 4.46 Cu CZ A:Phe404 4.75 Cu CE1 A:Phe404 3.94 Cu CG1 A:Val407 4.70 Cu NE2 A:His408 2.05 Cu ND1 A:His408 4.04 Cu CD2 A:His408 2.94 Cu CE1 A:His408 3.00 Cu CG A:His408 4.05 Cu CU A:Cu696 4.86 Cu O A:Hoh759 2.48 interactive model: Copper binding site 3 out of 4 in 3hhs Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3hhs. 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: B: His239, B: His366, B: His370, B: Phe402, B: Trp405, B: His406, B: Cu686, conact list: Atom Atom Distance (A) Cu NE2 B:His239 4.71 Cu CD2 B:His239 4.94 Cu NE2 B:His366 2.10 Cu ND1 B:His366 4.17 Cu CD2 B:His366 3.06 Cu CE1 B:His366 3.07 Cu CG B:His366 4.20 Cu NE2 B:His370 2.01 Cu ND1 B:His370 4.12 Cu CD2 B:His370 2.95 Cu CE1 B:His370 3.04 Cu CG B:His370 4.11 Cu CD1 B:Phe402 4.52 Cu CZ B:Phe402 4.53 Cu CE1 B:Phe402 3.97 Cu CD1 B:Trp405 4.26 Cu NE1 B:Trp405 4.85 Cu NE2 B:His406 1.97 Cu ND1 B:His406 3.96 Cu CD2 B:His406 3.00 Cu CE1 B:His406 2.85 Cu CG B:His406 4.07 Cu CU B:Cu686 4.53 interactive model: Copper binding site 4 out of 4 in 3hhs Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3hhs. 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: B: His209, B: His213, B: Met238, B: His239, B: Phe402, B: His406, B: Cu1, conact list: Atom Atom Distance (A) Cu NE2 B:His209 2.02 Cu ND1 B:His209 4.03 Cu CD2 B:His209 2.88 Cu CE1 B:His209 3.01 Cu CG B:His209 4.01 Cu NE2 B:His213 2.07 Cu ND1 B:His213 4.17 Cu CD2 B:His213 3.05 Cu CE1 B:His213 3.05 Cu CG B:His213 4.20 Cu CE B:Met238 4.20 Cu NE2 B:His239 1.95 Cu ND1 B:His239 3.97 Cu CD2 B:His239 3.08 Cu CE1 B:His239 2.79 Cu CG B:His239 4.13 Cu CZ B:Phe402 4.30 Cu CE1 B:Phe402 4.50 Cu NE2 B:His406 4.52 Cu CE1 B:His406 4.64 Cu CU B:Cu1 4.53 interactive model: