Cadmium in the structure of Crystal Structure of the Single-Stranded Dna-Binding Protein From Mycobacterium Smegmatis (pdb 1x3f)

The binding sites of Cadmium atom in the structure of Crystal Structure of the Single-Stranded Dna-Binding Protein From Mycobacterium Smegmatis (pdb code 1x3f). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 1x3f structure was solved by K.SAIKRISHNAN, G.P.MANJUNATH, P.SINGH, J.JEYAKANTHAN, Z.DAUTER, K.SEKAR, K.MUNIYAPPA, M.VIJAYAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.7 Space group P3121 a (A) 78.014 b (A) 78.014 c (A) 71.018 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20 Rfree (%) 27.5 Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 1x3f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 1x3f. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu51, A: Ala52, A: Phe54, A: Hoh1016, A: Hoh1017, A: Hoh1033, conact list: Atom Atom Distance (A) Cd OE1 A:Glu51 2.44 Cd CB A:Glu51 4.96 Cd OE2 A:Glu51 2.29 Cd CD A:Glu51 2.65 Cd CG A:Glu51 4.08 Cd O A:Ala52 4.81 Cd N A:Ala52 4.98 Cd CE1 A:Phe54 4.53 Cd O A:Hoh1016 2.47 Cd O A:Hoh1017 2.44 Cd O A:Hoh1033 3.44 interactive model: Cadmium binding site 2 out of 2 in 1x3f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 1x3f. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ala27, B: Arg61, B: Glu62, B: Glu65, conact list: Atom Atom Distance (A) Cd CB B:Ala27 4.64 Cd O B:Arg61 4.53 Cd C B:Arg61 4.23 Cd CA B:Arg61 4.64 Cd N B:Glu62 4.14 Cd CB B:Glu62 4.85 Cd CA B:Glu62 4.34 Cd OE1 B:Glu65 2.17 Cd CB B:Glu65 5.00 Cd OE2 B:Glu65 2.55 Cd CD B:Glu65 2.63 Cd CG B:Glu65 4.06 interactive model: