Calcium in the structure of Horse Pancreatic Lipase. the Crystal Structure At 2.3 Angstroms Resolution (pdb 1hpl)

The binding sites of Calcium atom in the structure of Horse Pancreatic Lipase. the Crystal Structure At 2.3 Angstroms Resolution (pdb code 1hpl). This binding sites where shown with 5.0 Angstroms radius around Calcium atom. The 1hpl structure was solved by Y.BOURNE, C.CAMBILLAU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.3 Space group P212121 a (A) 79.800 b (A) 97.200 c (A) 145.300 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.9 Rfree (%) n/a Calcium Binding Sites: Calcium binding site 1 out of 2 in 1hpl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Calcium in the PDB 1hpl. 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: Gly159, A: Arg163, A: Glu187, A: Leu188, A: Arg190, A: Leu191, A: Asp192, A: Asp195, A: Hoh1066, A: Hoh1074, A: Hoh1174, A: Hoh1261, A: Hoh1262, conact list: Atom Atom Distance (A) Ca O A:Gly159 4.46 Ca C A:Gly159 4.88 Ca CB A:Arg163 4.73 Ca CD A:Arg163 4.78 Ca O A:Glu187 2.23 Ca CB A:Glu187 4.43 Ca C A:Glu187 3.42 Ca CA A:Glu187 4.26 Ca O A:Leu188 4.23 Ca N A:Leu188 4.41 Ca C A:Leu188 4.48 Ca CA A:Leu188 4.62 Ca O A:Arg190 2.18 Ca N A:Arg190 4.39 Ca C A:Arg190 3.44 Ca CA A:Arg190 4.52 Ca N A:Leu191 4.30 Ca C A:Leu191 4.38 Ca CA A:Leu191 4.32 Ca O A:Asp192 4.93 Ca N A:Asp192 4.12 Ca CB A:Asp192 4.26 Ca OD2 A:Asp192 2.35 Ca OD1 A:Asp192 4.44 Ca CG A:Asp192 3.53 Ca CA A:Asp192 4.80 Ca CB A:Asp195 4.50 Ca OD2 A:Asp195 2.57 Ca OD1 A:Asp195 2.66 Ca CG A:Asp195 2.98 Ca O A:Hoh1066 4.28 Ca O A:Hoh1074 2.42 Ca O A:Hoh1174 4.31 Ca O A:Hoh1261 2.19 Ca O A:Hoh1262 4.73 interactive model: Calcium binding site 2 out of 2 in 1hpl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Calcium in the PDB 1hpl. 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: Gly159, B: Arg163, B: Glu187, B: Leu188, B: Val189, B: Arg190, B: Leu191, B: Asp192, B: Ser194, B: Asp195, B: Hoh1017, B: Hoh1024, B: Hoh1079, B: Hoh1162, B: Hoh1224, conact list: Atom Atom Distance (A) Ca O B:Gly159 4.51 Ca C B:Gly159 4.90 Ca CB B:Arg163 4.74 Ca CD B:Arg163 4.79 Ca O B:Glu187 2.21 Ca CB B:Glu187 4.57 Ca C B:Glu187 3.43 Ca CA B:Glu187 4.34 Ca O B:Leu188 4.37 Ca N B:Leu188 4.39 Ca C B:Leu188 4.48 Ca CA B:Leu188 4.60 Ca N B:Val189 4.94 Ca O B:Arg190 2.17 Ca N B:Arg190 4.31 Ca C B:Arg190 3.42 Ca CA B:Arg190 4.47 Ca N B:Leu191 4.31 Ca C B:Leu191 4.53 Ca CA B:Leu191 4.42 Ca N B:Asp192 4.26 Ca CB B:Asp192 4.51 Ca OD2 B:Asp192 2.55 Ca OD1 B:Asp192 4.57 Ca CG B:Asp192 3.73 Ca CA B:Asp192 4.98 Ca OG B:Ser194 4.89 Ca CB B:Asp195 4.54 Ca OD2 B:Asp195 2.70 Ca OD1 B:Asp195 2.61 Ca CG B:Asp195 3.01 Ca O B:Hoh1017 4.37 Ca O B:Hoh1024 4.33 Ca O B:Hoh1079 2.20 Ca O B:Hoh1162 2.29 Ca O B:Hoh1224 4.66 interactive model: