Calcium in PDB 1le7: Carboxylic Ester Hydrolase, C 2 2 21 Space Group

All present enzymatic activity of Carboxylic Ester Hydrolase, C 2 2 21 Space Group:
3.1.1.4;

The structure of Carboxylic Ester Hydrolase, C 2 2 21 Space Group, PDB code: 1le7 was solved by Y.H.Pan, M.K.Jain, B.J.Bahnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.51 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	139.058, 145.098, 28.086, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.2

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase, C 2 2 21 Space Group (pdb code 1le7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Carboxylic Ester Hydrolase, C 2 2 21 Space Group, PDB code: 1le7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Carboxylic Ester Hydrolase, C 2 2 21 Space Group


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Carboxylic Ester Hydrolase, C 2 2 21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca215 b:30.6 occ:1.00 O A:PHE26 2.5 29.0 1.0 O A:GLY28 2.6 28.6 1.0 O A:GLY30 2.6 32.7 1.0 OD1 A:ASP47 2.6 24.7 1.0 O A:HOH226 2.6 22.5 1.0 OD2 A:ASP47 2.7 30.4 1.0 O A:HOH233 2.7 24.8 1.0 CG A:ASP47 3.0 26.1 1.0 C A:PHE26 3.7 27.8 1.0 C A:GLY28 3.7 29.3 1.0 C A:GLY30 3.7 31.0 1.0 N A:GLY28 3.8 28.9 1.0 N A:GLY30 4.0 29.7 1.0 O A:HOH227 4.0 28.4 1.0 CA A:GLY30 4.3 29.6 1.0 O A:HOH270 4.3 26.0 1.0 C A:LEU29 4.4 29.2 1.0 O A:HOH228 4.4 23.6 1.0 CA A:PHE26 4.4 27.1 1.0 CA A:GLY28 4.5 29.1 1.0 CB A:ASP47 4.5 25.1 1.0 O A:HOH282 4.6 36.3 1.0 O A:HOH371 4.6 49.3 1.0 CA A:CYS27 4.6 27.5 1.0 C A:CYS27 4.6 28.5 1.0 N A:CYS27 4.6 28.3 1.0 O A:HOH363 4.6 46.3 1.0 N A:LEU29 4.6 29.2 1.0 O A:CYS43 4.7 26.2 1.0 CA A:LEU29 4.8 29.6 1.0 CB A:PHE26 4.8 27.7 1.0 N A:GLY31 4.8 32.0 1.0 O A:LEU29 4.9 31.0 1.0 CA A:GLY31 5.0 32.3 1.0

Calcium binding site 2 out of 2 in the Carboxylic Ester Hydrolase, C 2 2 21 Space Group


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Carboxylic Ester Hydrolase, C 2 2 21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca216 b:53.9 occ:1.00 O B:GLY28 2.7 43.5 1.0 OD2 B:ASP47 2.8 46.9 1.0 O B:HOH226 2.8 41.4 1.0 O B:PHE26 2.8 40.2 1.0 O B:GLY30 2.8 53.9 1.0 OD1 B:ASP47 2.8 46.2 1.0 CG B:ASP47 3.1 45.5 1.0 O B:HOH266 3.5 66.7 1.0 C B:GLY28 3.6 44.3 1.0 C B:GLY30 3.7 51.9 1.0 N B:GLY30 3.9 49.8 1.0 N B:GLY28 3.9 41.5 1.0 C B:PHE26 3.9 39.8 1.0 O B:HOH227 4.0 42.4 1.0 O B:HOH230 4.2 31.5 1.0 C B:LEU29 4.3 49.3 1.0 CA B:GLY30 4.3 51.1 1.0 CA B:GLY28 4.4 42.5 1.0 N B:LEU29 4.5 47.0 1.0 CB B:ASP47 4.5 45.1 1.0 CA B:LEU29 4.6 48.9 1.0 N B:GLY31 4.7 51.5 1.0 C5 B:MPD219 4.7 40.5 0.6 CA B:PHE26 4.7 40.2 1.0 O4 B:MPD219 4.7 41.0 0.6 C B:CYS27 4.8 39.0 1.0 O B:CYS43 4.8 41.0 1.0 O B:LEU29 4.8 49.1 1.0 C4 B:MPD219 4.9 41.0 0.6 N B:CYS27 4.9 39.2 1.0 CA B:CYS27 4.9 37.8 1.0 CA B:GLY31 4.9 51.2 1.0

Y.H.Pan, B.Z.Yu, A.G.Singer, F.Ghomashchi, G.Lambeau, M.H.Gelb, M.K.Jain, B.J.Bahnson. Crystal Structure of Human Group X Secreted Phospholipase A2. Electrostatically Neutral Interfacial Surface Targets Zwitterionic Membranes. J.Biol.Chem. V. 277 29086 2002.
ISSN: ISSN 0021-9258
PubMed: 12161451
DOI: 10.1074/JBC.M202531200