Chlorine in the structure of THR45GLY Variant of Ribonuclease A (pdb 1c8w)

The binding sites of Chlorine atom in the structure of THR45GLY Variant of Ribonuclease A (pdb code 1c8w). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom. The 1c8w structure was solved by B.R.KELEMEN, R.T.SWEENEY, L.W.SCHULTZ, R.T.RAINES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.8 Space group P3221 a (A) 64.320 b (A) 64.320 c (A) 64.840 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) n/a Rfree (%) n/a Chlorine Binding Sites: Chlorine binding site 1 out of 3 in 1c8w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 1c8w. 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: Arg10, A: Arg33, A: Asn34, A: Hoh182, conact list: Atom Atom Distance (A) Cl CD A:Arg10 3.43 Cl CZ A:Arg10 4.22 Cl CG A:Arg10 4.86 Cl NE A:Arg10 3.78 Cl NH1 A:Arg10 4.40 Cl O A:Arg33 4.67 Cl CB A:Asn34 4.13 Cl ND2 A:Asn34 3.18 Cl CG A:Asn34 4.12 Cl O A:Hoh182 3.20 interactive model: Chlorine binding site 2 out of 3 in 1c8w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Chlorine in the PDB 1c8w. 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: His12, A: Val43, A: Asn44, A: Gly45, A: Phe120, A: Act155, A: Hoh173, A: Hoh243, conact list: Atom Atom Distance (A) Cl NE2 A:His12 4.40 Cl ND1 A:His12 4.11 Cl CE1 A:His12 3.49 Cl O A:Val43 4.44 Cl C A:Val43 4.74 Cl CG1 A:Val43 4.88 Cl N A:Asn44 4.47 Cl CB A:Asn44 4.87 Cl C A:Asn44 3.89 Cl OD1 A:Asn44 4.49 Cl CG A:Asn44 4.87 Cl CA A:Asn44 3.74 Cl O A:Gly45 4.73 Cl N A:Gly45 3.20 Cl C A:Gly45 4.96 Cl CA A:Gly45 4.16 Cl O A:Phe120 4.95 Cl CB A:Phe120 4.47 Cl CD1 A:Phe120 3.93 Cl CE1 A:Phe120 4.83 Cl CG A:Phe120 4.70 Cl CH3 A:Act155 4.63 Cl O A:Hoh173 2.76 Cl O A:Hoh243 4.98 interactive model: Chlorine binding site 3 out of 3 in 1c8w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Chlorine in the PDB 1c8w. 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: Thr3, A: Ala5, A: Ala6, A: Hoh159, A: Hoh174, A: Hoh186, conact list: Atom Atom Distance (A) Cl CB A:Thr3 3.94 Cl CG2 A:Thr3 4.10 Cl OG1 A:Thr3 3.01 Cl C A:Ala5 4.85 Cl CB A:Ala5 4.01 Cl CA A:Ala5 4.92 Cl N A:Ala6 4.23 Cl CB A:Ala6 4.46 Cl CA A:Ala6 4.78 Cl O A:Hoh159 4.75 Cl O A:Hoh174 3.83 Cl O A:Hoh186 4.84 interactive model: