Copper in the structure of Crystal Structure of Deoxygenated Limulus Polyphemus Subunit II Hemocyanin At 2.18 Angstroms Resolution: Clues For A Mechanism For Allosteric Regulation (pdb 1lla)

The binding sites of Copper atom in the structure of Crystal Structure of Deoxygenated Limulus Polyphemus Subunit II Hemocyanin At 2.18 Angstroms Resolution: Clues For A Mechanism For Allosteric Regulation (pdb code 1lla). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1lla structure was solved by B.HAZES, W.G.J.HOL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.2 Space group R32 a (A) 117.002 b (A) 117.002 c (A) 117.002 alpha (°) 60.02 beta (°) 60.02 gamma (°) 60.02 Rfactor (%) 17.4 Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 1lla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1lla. 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: His173, A: His177, A: His204, A: Met207, A: Phe360, A: His364, A: Cu630, conact list: Atom Atom Distance (A) Cu NE2 A:His173 2.10 Cu ND1 A:His173 4.12 Cu CD2 A:His173 2.94 Cu CE1 A:His173 3.07 Cu CG A:His173 4.08 Cu NE2 A:His177 2.01 Cu ND1 A:His177 4.04 Cu CD2 A:His177 3.00 Cu CE1 A:His177 2.91 Cu CG A:His177 4.13 Cu NE2 A:His204 1.94 Cu ND1 A:His204 3.87 Cu CD2 A:His204 3.06 Cu CE1 A:His204 2.66 Cu CG A:His204 4.08 Cu CE A:Met207 4.29 Cu CZ A:Phe360 4.50 Cu CE1 A:Phe360 4.68 Cu CE1 A:His364 4.89 Cu CU A:Cu630 4.61 interactive model: Copper binding site 2 out of 2 in 1lla Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1lla. 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: Phe49, A: His204, A: His324, A: His328, A: Phe360, A: Trp363, A: His364, A: Cu629, conact list: Atom Atom Distance (A) Cu CE1 A:Phe49 4.83 Cu NE2 A:His204 4.64 Cu CD2 A:His204 4.70 Cu NE2 A:His324 2.16 Cu ND1 A:His324 4.18 Cu CD2 A:His324 3.03 Cu CE1 A:His324 3.11 Cu CG A:His324 4.16 Cu NE2 A:His328 2.08 Cu ND1 A:His328 4.06 Cu CD2 A:His328 3.15 Cu CE1 A:His328 2.87 Cu CG A:His328 4.18 Cu CD1 A:Phe360 4.38 Cu CZ A:Phe360 4.36 Cu CE1 A:Phe360 3.72 Cu CD1 A:Trp363 4.24 Cu NE1 A:Trp363 4.66 Cu NE2 A:His364 1.92 Cu ND1 A:His364 3.79 Cu CD2 A:His364 3.08 Cu CE1 A:His364 2.55 Cu CG A:His364 4.02 Cu CU A:Cu629 4.61 interactive model: