Calcium in the structure of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex With Zanamavir (pdb 1v3e)

The binding sites of Calcium atom in the structure of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex With Zanamavir (pdb code 1v3e). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1v3e structure was solved by M.C.LAWRENCE, N.A.BORG, V.A.STRELTSOV, P.A.PILLING, V.C.EPA, J.N.VARGHESE, J.L.MCKIMM-BRESCHKIN, P.M.COLMAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.9 Space group P6222 a (A) 218.451 b (A) 218.451 c (A) 109.904 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.4 Rfree (%) 21.9 Calcium Binding Sites: Calcium binding site 1 out of 2 in 1v3e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1v3e. 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: Ser278, A: Asp279, A: Tyr280, A: Ser282, A: Pro283, A: Gly284, A: Ile285, A: Glu286, A: Ala316, A: Ala317, A: Hoh4048, A: Hoh4167, A: Hoh4208, conact list: Atom Atom Distance (A) Ca O A:Ser278 4.76 Ca O A:Asp279 2.28 Ca CB A:Asp279 4.26 Ca OD2 A:Asp279 4.54 Ca C A:Asp279 3.28 Ca OD1 A:Asp279 2.42 Ca CG A:Asp279 3.58 Ca CA A:Asp279 3.71 Ca N A:Tyr280 4.45 Ca CA A:Tyr280 4.83 Ca O A:Ser282 2.38 Ca N A:Ser282 4.14 Ca CB A:Ser282 3.71 Ca OG A:Ser282 2.54 Ca C A:Ser282 3.37 Ca CA A:Ser282 3.93 Ca O A:Pro283 4.22 Ca N A:Pro283 4.46 Ca C A:Pro283 4.20 Ca CA A:Pro283 4.72 Ca O A:Gly284 2.33 Ca N A:Gly284 4.45 Ca C A:Gly284 3.57 Ca CA A:Gly284 4.61 Ca N A:Ile285 4.39 Ca C A:Ile285 4.70 Ca CA A:Ile285 4.25 Ca N A:Glu286 4.96 Ca OE2 A:Glu286 4.82 Ca O A:Ala316 2.18 Ca C A:Ala316 3.35 Ca CB A:Ala316 4.58 Ca CA A:Ala316 4.11 Ca N A:Ala317 4.42 Ca CB A:Ala317 4.87 Ca CA A:Ala317 4.65 Ca O A:Hoh4048 2.32 Ca O A:Hoh4167 4.18 Ca O A:Hoh4208 4.53 interactive model: Calcium binding site 2 out of 2 in 1v3e Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1v3e. 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: Ser278, B: Asp279, B: Tyr280, B: Ser282, B: Pro283, B: Gly284, B: Ile285, B: Glu286, B: Ala316, B: Ala317, B: Hoh5279, B: Hoh5402, B: Hoh5479, conact list: Atom Atom Distance (A) Ca O B:Ser278 4.84 Ca O B:Asp279 2.25 Ca N B:Asp279 4.99 Ca CB B:Asp279 4.20 Ca OD2 B:Asp279 4.55 Ca C B:Asp279 3.24 Ca OD1 B:Asp279 2.41 Ca CG B:Asp279 3.55 Ca CA B:Asp279 3.64 Ca N B:Tyr280 4.43 Ca CA B:Tyr280 4.90 Ca O B:Ser282 2.40 Ca N B:Ser282 4.17 Ca CB B:Ser282 3.72 Ca OG B:Ser282 2.51 Ca C B:Ser282 3.39 Ca CA B:Ser282 3.94 Ca O B:Pro283 4.18 Ca N B:Pro283 4.47 Ca C B:Pro283 4.23 Ca CA B:Pro283 4.77 Ca O B:Gly284 2.38 Ca N B:Gly284 4.42 Ca C B:Gly284 3.61 Ca CA B:Gly284 4.62 Ca N B:Ile285 4.42 Ca C B:Ile285 4.73 Ca CA B:Ile285 4.26 Ca N B:Glu286 4.88 Ca OE2 B:Glu286 4.87 Ca O B:Ala316 2.24 Ca C B:Ala316 3.46 Ca CB B:Ala316 4.83 Ca CA B:Ala316 4.28 Ca N B:Ala317 4.47 Ca CB B:Ala317 4.97 Ca CA B:Ala317 4.63 Ca O B:Hoh5279 2.27 Ca O B:Hoh5402 3.95 Ca O B:Hoh5479 4.50 interactive model: