Calcium in the structure of X-Ray Structure of Acetylcholine Binding Protein (Achbp) (pdb 1i9b)

The binding sites of Calcium atom in the structure of X-Ray Structure of Acetylcholine Binding Protein (Achbp) (pdb code 1i9b). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1i9b structure was solved by K.BREJC, W.J.VAN DIJK, R.KLAASSEN, M.SCHUURMANS, J.VAN DER OOST, A.B.SMIT, T.K.SIXMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.7 Space group P42212 a (A) 141.660 b (A) 141.660 c (A) 120.870 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 26 Rfree (%) 29.7 Calcium Binding Sites: Calcium binding site 1 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu157, A: Asp161, A: Asp175, A: Val176, A: Thr177, conact list: Atom Atom Distance (A) Ca O A:Glu157 4.07 Ca CB A:Asp161 4.62 Ca OD2 A:Asp161 2.58 Ca OD1 A:Asp161 2.99 Ca CG A:Asp161 3.14 Ca OD2 A:Asp175 4.65 Ca OD1 A:Asp175 3.40 Ca CG A:Asp175 4.34 Ca O A:Val176 2.50 Ca N A:Val176 4.24 Ca CB A:Val176 4.80 Ca C A:Val176 3.69 Ca CA A:Val176 4.48 Ca N A:Thr177 4.67 Ca CG2 A:Thr177 4.41 Ca CA A:Thr177 4.79 interactive model: Calcium binding site 2 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp2, A: Ca307, conact list: Atom Atom Distance (A) Ca CB B:Asp2 4.50 Ca OD1 B:Asp2 2.86 Ca CG B:Asp2 3.99 Ca CA A:Ca307 0.00 Ca CA A:Ca307 3.27 interactive model: Calcium binding site 3 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp2, B: Asp5, A: Ca307, conact list: Atom Atom Distance (A) Ca N B:Asp2 4.90 Ca CB B:Asp2 4.36 Ca OD2 B:Asp2 3.47 Ca OD1 B:Asp2 2.52 Ca CG B:Asp2 3.20 Ca CB B:Asp5 4.89 Ca OD2 B:Asp5 2.88 Ca OD1 B:Asp5 3.17 Ca CG B:Asp5 3.40 Ca CA A:Ca307 3.27 Ca CA A:Ca307 0.00 interactive model: Calcium binding site 4 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Glu157, B: Asp161, B: Asp175, B: Val176, B: Thr177, conact list: Atom Atom Distance (A) Ca O B:Glu157 4.47 Ca CB B:Asp161 4.28 Ca OD2 B:Asp161 2.18 Ca OD1 B:Asp161 3.02 Ca CG B:Asp161 2.90 Ca OD2 B:Asp175 4.26 Ca C B:Asp175 4.98 Ca OD1 B:Asp175 2.76 Ca CG B:Asp175 3.81 Ca O B:Val176 2.72 Ca N B:Val176 3.92 Ca CB B:Val176 4.77 Ca C B:Val176 3.81 Ca CA B:Val176 4.39 Ca N B:Thr177 4.88 Ca CG2 B:Thr177 4.60 interactive model: Calcium binding site 5 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu157, C: Asp161, C: Asp175, C: Val176, C: Thr177, conact list: Atom Atom Distance (A) Ca O C:Glu157 3.72 Ca C C:Glu157 4.67 Ca CA C:Glu157 4.84 Ca CB C:Asp161 4.61 Ca OD2 C:Asp161 2.76 Ca OD1 C:Asp161 2.78 Ca CG C:Asp161 3.12 Ca OD1 C:Asp175 3.89 Ca CG C:Asp175 4.84 Ca O C:Val176 2.55 Ca N C:Val176 4.49 Ca CB C:Val176 4.76 Ca C C:Val176 3.77 Ca CA C:Val176 4.59 Ca N C:Thr177 4.73 Ca CG2 C:Thr177 4.66 Ca CA C:Thr177 4.80 interactive model: Calcium binding site 6 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Glu157, D: Asp161, D: Asp175, D: Val176, D: Thr177, conact list: Atom Atom Distance (A) Ca O D:Glu157 3.77 Ca CB D:Glu157 4.84 Ca C D:Glu157 4.53 Ca CA D:Glu157 4.49 Ca CB D:Asp161 4.71 Ca OD2 D:Asp161 3.08 Ca OD1 D:Asp161 2.61 Ca CG D:Asp161 3.22 Ca OD1 D:Asp175 4.61 Ca O D:Val176 2.44 Ca N D:Val176 4.68 Ca CB D:Val176 4.48 Ca C D:Val176 3.63 Ca CG1 D:Val176 4.91 Ca CA D:Val176 4.51 Ca N D:Thr177 4.52 Ca CG2 D:Thr177 4.86 Ca CA D:Thr177 4.55 interactive model: Calcium binding site 7 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: Glu157, E: Asp161, E: Asp175, E: Val176, E: Thr177, conact list: Atom Atom Distance (A) Ca O E:Glu157 4.01 Ca CB E:Asp161 4.45 Ca OD2 E:Asp161 2.44 Ca OD1 E:Asp161 2.82 Ca CG E:Asp161 2.97 Ca OD2 E:Asp175 4.75 Ca OD1 E:Asp175 3.46 Ca CG E:Asp175 4.41 Ca O E:Val176 2.53 Ca N E:Val176 4.21 Ca CB E:Val176 4.71 Ca C E:Val176 3.70 Ca CA E:Val176 4.44 Ca N E:Thr177 4.71 Ca CG2 E:Thr177 4.57 Ca CA E:Thr177 4.88 interactive model: Calcium binding site 8 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp2, A: Asp5, E: Ca306, conact list: Atom Atom Distance (A) Ca CB A:Asp2 4.41 Ca OD2 A:Asp2 3.55 Ca OD1 A:Asp2 2.38 Ca CG A:Asp2 3.20 Ca CB A:Asp5 4.89 Ca OD2 A:Asp5 2.98 Ca OD1 A:Asp5 3.18 Ca CG A:Asp5 3.43 Ca CA E:Ca306 0.00 Ca CA E:Ca306 1.92 interactive model: Calcium binding site 9 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp2, A: Asp5, E: Ca306, conact list: Atom Atom Distance (A) Ca CB A:Asp2 4.34 Ca OD2 A:Asp2 4.45 Ca OD1 A:Asp2 2.47 Ca CG A:Asp2 3.58 Ca OD2 A:Asp5 4.36 Ca CA E:Ca306 1.92 Ca CA E:Ca306 0.00 interactive model: Calcium binding site 10 out of 10 in 1i9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Calcium in the PDB 1i9b. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Calcium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: Asp2, E: Asp5, conact list: Atom Atom Distance (A) Ca N E:Asp2 4.93 Ca CB E:Asp2 4.11 Ca OD2 E:Asp2 2.35 Ca OD1 E:Asp2 2.31 Ca CG E:Asp2 2.63 Ca OD2 E:Asp5 3.29 Ca OD1 E:Asp5 3.49 Ca CG E:Asp5 3.76 interactive model: