Chlorine in the structure of Base Specific Binding Of Copper(II) to Z-Dna: The 1.3- Angstroms Single Crystal Structure Of D(M5CGUAM5CG) in the Presence of CUCL2 (pdb 1d40)

The binding sites of Chlorine atom in the structure of Base Specific Binding Of Copper(II) to Z-Dna: The 1.3- Angstroms Single Crystal Structure Of D(M5CGUAM5CG) in the Presence of CUCL2 (pdb code 1d40). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom. The 1d40 structure was solved by B.H.GEIERSTANGER, T.F.KAGAWA, S.-L.CHEN, G.J.QUIGLEY, P.S.HO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 1.3 Space group P212121 a (A) 17.590 b (A) 30.580 c (A) 44.520 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Chlorine Binding Sites: Chlorine binding site 1 out of 2 in 1d40 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 1d40. 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: B: Da10, B: 5cm11, B: Dg12, B: Cul14, B: Hoh27, B: Hoh81, conact list: Atom Atom Distance (A) Cl C3' B:Da10 4.84 Cl O3' B:Da10 3.78 Cl C2' B:Da10 4.60 Cl OP1 B:5cm11 2.47 Cl P B:5cm11 3.52 Cl OP2 B:5cm11 4.88 Cl C5' B:5cm11 4.29 Cl O5' B:5cm11 3.65 Cl C8 B:Dg12 4.54 Cl C5 B:Dg12 4.75 Cl N7 B:Dg12 3.99 Cl O6 B:Dg12 4.97 Cl CL1 B:Cul14 0.00 Cl CU B:Cul14 3.11 Cl O B:Hoh27 3.30 Cl O B:Hoh81 2.72 interactive model: Chlorine binding site 2 out of 2 in 1d40 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Chlorine in the PDB 1d40. 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: B: Dg12, B: Cul14, B: Hoh27, conact list: Atom Atom Distance (A) Cl N9 B:Dg12 4.96 Cl C8 B:Dg12 4.12 Cl C6 B:Dg12 4.30 Cl C5 B:Dg12 4.03 Cl N7 B:Dg12 3.36 Cl C4 B:Dg12 5.00 Cl O6 B:Dg12 4.11 Cl CL2 B:Cul14 0.00 Cl CU B:Cul14 2.69 Cl O B:Hoh27 3.40 interactive model: