Barium in the structure of Recombinant Vertebrate Calmodulin Complexed With Ba (pdb 2v02)

The binding sites of Barium atom in the structure of Recombinant Vertebrate Calmodulin Complexed With Ba (pdb code 2v02). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 2v02 structure was solved by P.KURSULA, V.MAJAVA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P1 a (A) 24.410 b (A) 29.320 c (A) 53.320 alpha (°) 89.84 beta (°) 85.68 gamma (°) 82.80 Rfactor (%) 24.3 Rfree (%) 29.4 Barium Binding Sites: Barium binding site 1 out of 2 in 2v02 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 2v02. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp56, A: Ala57, A: Asp58, A: Gly59, A: Asn60, A: Gly61, A: Thr62, A: Ile63, A: Asp64, A: Glu67, A: Ba1150, A: Hoh2007, conact list: Atom Atom Distance (A) Ba CB A:Asp56 4.58 Ba OD2 A:Asp56 4.71 Ba C A:Asp56 4.86 Ba OD1 A:Asp56 2.69 Ba CG A:Asp56 3.83 Ba CA A:Asp56 4.54 Ba N A:Ala57 4.85 Ba N A:Asp58 4.59 Ba CB A:Asp58 4.68 Ba OD2 A:Asp58 3.44 Ba OD1 A:Asp58 2.73 Ba CG A:Asp58 3.37 Ba N A:Gly59 4.99 Ba N A:Asn60 4.51 Ba CB A:Asn60 4.44 Ba ND2 A:Asn60 3.83 Ba OD1 A:Asn60 2.52 Ba CG A:Asn60 3.34 Ba CA A:Asn60 4.91 Ba N A:Gly61 4.94 Ba O A:Thr62 2.51 Ba N A:Thr62 4.50 Ba OG1 A:Thr62 4.60 Ba C A:Thr62 3.69 Ba CA A:Thr62 4.69 Ba N A:Ile63 4.47 Ba C A:Ile63 4.86 Ba CA A:Ile63 4.31 Ba N A:Asp64 4.57 Ba OD2 A:Asp64 4.23 Ba CG A:Asp64 4.63 Ba OE1 A:Glu67 2.75 Ba OE2 A:Glu67 2.75 Ba CD A:Glu67 3.10 Ba CG A:Glu67 4.58 Ba BA A:Ba1150 4.89 Ba O A:Hoh2007 4.85 interactive model: Barium binding site 2 out of 2 in 2v02 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 2v02. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp58, A: Asp64, A: Glu67, A: Ba1147, A: Hoh2007, conact list: Atom Atom Distance (A) Ba CB A:Asp58 4.73 Ba OD2 A:Asp58 2.84 Ba OD1 A:Asp58 4.91 Ba CG A:Asp58 4.03 Ba OD2 A:Asp64 2.97 Ba OD1 A:Asp64 4.89 Ba CG A:Asp64 4.20 Ba OE2 A:Glu67 4.80 Ba BA A:Ba1147 4.89 Ba O A:Hoh2007 3.33 interactive model: