Calcium in the structure of Crystal Structure of Human Enterovirus 71 (pdb 4aed)

The binding sites of Calcium atom in the structure of Crystal Structure of Human Enterovirus 71 (pdb code 4aed). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 4aed structure was solved by P.PLEVKA, R.PERERA, R.J.KUHN, M.G.ROSSMANN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-3.8 Space group I212121 a (A) 600.200 b (A) 610.600 c (A) 851.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 27.92 Rfree (%) n/a Calcium Binding Sites: Calcium binding site 1 out of 5 in 4aed Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 4aed. 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: Asp67, B: Thr68, B: Lys69, B: Asp156, conact list: Atom Atom Distance (A) Ca CB B:Asp67 4.52 Ca OD2 B:Asp67 4.31 Ca OD1 B:Asp67 2.56 Ca CG B:Asp67 3.61 Ca CA B:Asp67 4.57 Ca O B:Thr68 4.12 Ca N B:Thr68 4.41 Ca NZ B:Lys69 4.94 Ca CB B:Asp156 4.18 Ca OD2 B:Asp156 2.34 Ca OD1 B:Asp156 3.01 Ca CG B:Asp156 2.90 Ca CA B:Asp156 4.58 interactive model: Calcium binding site 2 out of 5 in 4aed Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 4aed. 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: Asp84, B: Glu88, B: Tyr148, B: Gln152, conact list: Atom Atom Distance (A) Ca CB B:Asp84 4.50 Ca OD2 B:Asp84 4.66 Ca OD1 B:Asp84 3.00 Ca CG B:Asp84 3.86 Ca OE1 B:Glu88 4.41 Ca OE2 B:Glu88 4.76 Ca CD B:Glu88 4.76 Ca CE2 B:Tyr148 4.45 Ca CZ B:Tyr148 4.06 Ca OH B:Tyr148 3.19 Ca O B:Gln152 4.09 Ca OE1 B:Gln152 3.91 Ca CB B:Gln152 4.46 Ca CD B:Gln152 4.80 interactive model: Calcium binding site 3 out of 5 in 4aed Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Calcium in the PDB 4aed. 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: Asp225, C: Pro205, C: Ile206, C: Gly207, C: Ala208, C: Asn210, conact list: Atom Atom Distance (A) Ca OD2 B:Asp225 2.68 Ca OD1 B:Asp225 4.31 Ca CG B:Asp225 3.83 Ca O C:Pro205 4.16 Ca C C:Ile206 4.73 Ca CA C:Ile206 4.76 Ca N C:Gly207 3.74 Ca C C:Gly207 4.47 Ca CA C:Gly207 4.36 Ca O C:Ala208 3.05 Ca N C:Ala208 3.90 Ca C C:Ala208 4.08 Ca CA C:Ala208 4.64 Ca N C:Asn210 4.90 Ca CB C:Asn210 4.97 Ca ND2 C:Asn210 3.44 Ca OD1 C:Asn210 3.14 Ca CG C:Asn210 3.60 interactive model: Calcium binding site 4 out of 5 in 4aed Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Calcium in the PDB 4aed. 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: Phe117, C: Ile206, conact list: Atom Atom Distance (A) Ca CE2 B:Phe117 4.42 Ca CZ B:Phe117 4.75 Ca O C:Ile206 3.12 Ca CD1 C:Ile206 4.15 Ca C C:Ile206 4.35 Ca CG1 C:Ile206 3.88 interactive model: Calcium binding site 5 out of 5 in 4aed Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Calcium in the PDB 4aed. 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: Thr4, C: Pro6, conact list: Atom Atom Distance (A) Ca CB C:Thr4 4.57 Ca CG2 C:Thr4 4.77 Ca OG1 C:Thr4 4.09 Ca CG C:Pro6 4.36 interactive model: