Copper in the structure of Metal Substitution in Transferrins: the Crystal Structure of Human Copper-Lactoferrin At 2.1 Angstroms Resolution (pdb 1lfi)

The binding sites of Copper atom in the structure of Metal Substitution in Transferrins: the Crystal Structure of Human Copper-Lactoferrin At 2.1 Angstroms Resolution (pdb code 1lfi). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1lfi structure was solved by C.A.SMITH, B.F.ANDERSON, H.M.BAKER, E.N.BAKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 2.1 Space group P212121 a (A) 155.900 b (A) 97.000 c (A) 56.000 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 1lfi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1lfi. 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: Asp60, A: Gly61, A: Tyr92, A: Arg121, A: Thr122, A: Tyr192, A: Arg210, A: His253, A: Co3695, A: Hoh998, A: Hoh1219, conact list: Atom Atom Distance (A) Cu CB A:Asp60 3.54 Cu OD2 A:Asp60 4.09 Cu OD1 A:Asp60 1.98 Cu CG A:Asp60 3.02 Cu CA A:Asp60 4.20 Cu N A:Gly61 4.91 Cu CE2 A:Tyr92 4.65 Cu CZ A:Tyr92 3.84 Cu CE1 A:Tyr92 4.47 Cu OH A:Tyr92 2.84 Cu CZ A:Arg121 4.27 Cu NE A:Arg121 4.07 Cu NH2 A:Arg121 3.80 Cu CB A:Thr122 4.88 Cu OG1 A:Thr122 4.86 Cu CE2 A:Tyr192 4.03 Cu CZ A:Tyr192 3.17 Cu CE1 A:Tyr192 4.01 Cu OH A:Tyr192 1.97 Cu NH2 A:Arg210 4.07 Cu NE2 A:His253 2.05 Cu ND1 A:His253 4.08 Cu CD2 A:His253 2.94 Cu CE1 A:His253 3.02 Cu CG A:His253 4.07 Cu O1 A:Co3695 3.86 Cu O2 A:Co3695 1.94 Cu C A:Co3695 3.17 Cu O3 A:Co3695 4.01 Cu O A:Hoh998 4.25 Cu O A:Hoh1219 4.46 interactive model: Copper binding site 2 out of 2 in 1lfi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1lfi. 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: Asp395, A: Tyr435, A: Arg465, A: Thr466, A: Ala467, A: Tyr528, A: His597, A: Co3696, A: Hoh997, A: Hoh1122, conact list: Atom Atom Distance (A) Cu CB A:Asp395 3.87 Cu OD2 A:Asp395 4.18 Cu OD1 A:Asp395 1.97 Cu CG A:Asp395 3.18 Cu CA A:Asp395 4.56 Cu CE2 A:Tyr435 3.50 Cu CD2 A:Tyr435 4.75 Cu CZ A:Tyr435 2.96 Cu CE1 A:Tyr435 3.96 Cu OH A:Tyr435 2.00 Cu CZ A:Arg465 4.63 Cu NE A:Arg465 4.69 Cu NH2 A:Arg465 3.78 Cu N A:Thr466 4.93 Cu N A:Ala467 4.95 Cu CE2 A:Tyr528 4.24 Cu CZ A:Tyr528 3.46 Cu CE1 A:Tyr528 4.23 Cu OH A:Tyr528 2.34 Cu NE2 A:His597 2.12 Cu ND1 A:His597 4.14 Cu CD2 A:His597 3.08 Cu CE1 A:His597 3.04 Cu CG A:His597 4.19 Cu O1 A:Co3696 2.28 Cu O2 A:Co3696 2.00 Cu C A:Co3696 2.52 Cu O3 A:Co3696 3.82 Cu O A:Hoh997 3.74 Cu O A:Hoh1122 3.97 interactive model: