Chlorine in the structure of Structure of Human Apolactoferrin At 2.0 A Resolution. (pdb 1cb6)

The binding sites of Chlorine atom in the structure of Structure of Human Apolactoferrin At 2.0 A Resolution. (pdb code 1cb6). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom. The 1cb6 structure was solved by G.B.JAMESON, B.F.ANDERSON, G.E.NORRIS, D.H.THOMAS, E.N.BAKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.0 Space group P212121 a (A) 152.090 b (A) 94.580 c (A) 55.790 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 28.6 Chlorine Binding Sites: Chlorine binding site 1 out of 2 in 1cb6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 1cb6. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Tyr1092, A: Thr1117, A: Arg1121, A: Thr1122, A: Ala1123, A: Gly1124, A: Tyr1192, A: Hoh2081, A: Hoh2256, conact list: Atom Atom Distance (A) Cl OH A:Tyr1092 4.75 Cl CB A:Thr1117 4.12 Cl CG2 A:Thr1117 4.12 Cl OG1 A:Thr1117 3.39 Cl CB A:Arg1121 3.87 Cl CD A:Arg1121 4.47 Cl CZ A:Arg1121 4.11 Cl C A:Arg1121 4.52 Cl CG A:Arg1121 4.65 Cl NE A:Arg1121 3.51 Cl NH2 A:Arg1121 3.89 Cl CA A:Arg1121 4.81 Cl N A:Thr1122 3.99 Cl CB A:Thr1122 5.00 Cl C A:Thr1122 4.45 Cl CA A:Thr1122 4.67 Cl N A:Ala1123 3.55 Cl C A:Ala1123 4.30 Cl CB A:Ala1123 3.52 Cl CA A:Ala1123 3.97 Cl N A:Gly1124 3.66 Cl CA A:Gly1124 4.56 Cl CE2 A:Tyr1192 4.33 Cl CD1 A:Tyr1192 4.31 Cl CZ A:Tyr1192 3.40 Cl CE1 A:Tyr1192 3.38 Cl OH A:Tyr1192 3.18 Cl O A:Hoh2081 4.44 Cl O A:Hoh2256 4.82 interactive model: Chlorine binding site 2 out of 2 in 1cb6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Chlorine in the PDB 1cb6. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp1395, A: Thr1461, A: Arg1465, A: Thr1466, A: Ala1467, A: Gly1468, A: Tyr1528, A: Hoh2237, conact list: Atom Atom Distance (A) Cl OD1 A:Asp1395 3.96 Cl CG A:Asp1395 4.85 Cl CB A:Thr1461 3.68 Cl CG2 A:Thr1461 3.55 Cl OG1 A:Thr1461 2.95 Cl CB A:Arg1465 3.57 Cl CD A:Arg1465 4.49 Cl CZ A:Arg1465 3.96 Cl C A:Arg1465 4.61 Cl CG A:Arg1465 4.49 Cl NE A:Arg1465 3.42 Cl NH2 A:Arg1465 3.60 Cl CA A:Arg1465 4.69 Cl N A:Thr1466 4.26 Cl C A:Thr1466 4.70 Cl CA A:Thr1466 4.97 Cl N A:Ala1467 3.84 Cl C A:Ala1467 4.18 Cl CB A:Ala1467 3.96 Cl CA A:Ala1467 4.20 Cl N A:Gly1468 3.38 Cl CA A:Gly1468 4.03 Cl CE2 A:Tyr1528 4.62 Cl CD1 A:Tyr1528 4.38 Cl CZ A:Tyr1528 3.72 Cl CE1 A:Tyr1528 3.56 Cl OH A:Tyr1528 3.61 Cl O A:Hoh2237 2.94 interactive model: