Calcium in PDB 1le6: Carboxylic Ester Hydrolase, P 1 21 1 Space Group

All present enzymatic activity of Carboxylic Ester Hydrolase, P 1 21 1 Space Group:
3.1.1.4;

The structure of Carboxylic Ester Hydrolase, P 1 21 1 Space Group, PDB code: 1le6 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)	28.36 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.173, 62.134, 70.368, 90.00, 99.35, 90.00
R / Rfree (%)	19 / 23.1

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase, P 1 21 1 Space Group (pdb code 1le6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Carboxylic Ester Hydrolase, P 1 21 1 Space Group, PDB code: 1le6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Carboxylic Ester Hydrolase, P 1 21 1 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, P 1 21 1 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca461 b:20.4 occ:1.00 O A:GLY28 2.3 27.0 1.0 O A:PHE26 2.3 20.1 1.0 O A:GLY30 2.4 26.7 1.0 O A:HOH469 2.4 20.9 1.0 OD1 A:ASP47 2.4 16.6 1.0 O A:HOH463 2.5 17.1 1.0 OD2 A:ASP47 2.6 16.9 1.0 CG A:ASP47 2.8 15.3 1.0 C A:PHE26 3.5 20.2 1.0 C A:GLY28 3.5 28.4 1.0 C A:GLY30 3.5 26.7 1.0 N A:GLY28 3.7 24.0 1.0 N A:GLY30 3.9 28.5 1.0 CA A:GLY30 4.1 27.5 1.0 C A:LEU29 4.2 29.1 1.0 O A:HOH464 4.2 19.6 1.0 CA A:PHE26 4.2 19.8 1.0 CA A:GLY28 4.3 27.0 1.0 CB A:ASP47 4.3 16.3 1.0 O A:HOH529 4.4 37.9 1.0 N A:LEU29 4.5 29.0 1.0 N A:CYS27 4.5 21.1 1.0 O A:HOH465 4.5 22.3 1.0 C A:CYS27 4.5 24.3 1.0 N A:GLY31 4.6 25.5 1.0 CA A:CYS27 4.6 22.0 1.0 CA A:LEU29 4.6 31.5 1.0 CB A:PHE26 4.7 18.1 1.0 O A:LEU29 4.7 29.9 1.0 O A:HOH625 4.7 46.2 1.0 O A:HOH482 4.8 24.3 1.0 CA A:GLY31 4.8 25.8 1.0 O A:CYS43 4.9 20.1 1.0

Calcium binding site 2 out of 3 in the Carboxylic Ester Hydrolase, P 1 21 1 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, P 1 21 1 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca462 b:21.3 occ:1.00 O B:GLY28 2.3 24.0 1.0 O B:GLY30 2.3 23.8 1.0 O B:PHE26 2.3 19.4 1.0 O B:HOH468 2.4 22.4 1.0 OD1 B:ASP47 2.4 22.6 1.0 O B:HOH467 2.5 19.5 1.0 OD2 B:ASP47 2.6 21.3 1.0 CG B:ASP47 2.8 20.7 1.0 C B:GLY30 3.5 23.9 1.0 C B:PHE26 3.5 18.3 1.0 C B:GLY28 3.5 24.1 1.0 N B:GLY28 3.8 24.4 1.0 N B:GLY30 4.0 24.4 1.0 O B:HOH480 4.1 20.8 1.0 CA B:GLY30 4.2 23.5 1.0 C B:LEU29 4.3 25.2 1.0 O2 B:MPD464 4.3 43.7 1.0 CA B:PHE26 4.3 19.1 1.0 CA B:GLY28 4.3 24.5 1.0 CB B:ASP47 4.3 19.2 1.0 O B:HOH481 4.5 18.4 1.0 N B:CYS27 4.5 19.9 1.0 C B:CYS27 4.5 22.8 1.0 N B:LEU29 4.5 25.0 1.0 N B:GLY31 4.5 23.0 1.0 CA B:CYS27 4.6 20.9 1.0 O B:HOH482 4.7 33.0 1.0 O B:LEU29 4.7 26.0 1.0 CB B:PHE26 4.7 18.4 1.0 CA B:LEU29 4.7 26.2 1.0 O B:HOH485 4.7 23.1 1.0 CA B:GLY31 4.7 23.0 1.0 O B:CYS43 4.9 19.1 1.0

Calcium binding site 3 out of 3 in the Carboxylic Ester Hydrolase, P 1 21 1 Space Group


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Carboxylic Ester Hydrolase, P 1 21 1 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca463 b:24.6 occ:1.00 O C:PHE26 2.3 24.0 1.0 O C:GLY30 2.3 34.0 1.0 O C:GLY28 2.4 30.2 1.0 O C:HOH464 2.4 22.7 1.0 O C:HOH489 2.5 22.5 1.0 OD2 C:ASP47 2.5 28.8 1.0 OD1 C:ASP47 2.6 26.3 1.0 CG C:ASP47 2.8 26.0 1.0 C C:PHE26 3.4 23.7 1.0 C C:GLY30 3.5 34.0 1.0 C C:GLY28 3.5 30.2 1.0 N C:GLY28 3.7 24.9 1.0 N C:GLY30 4.0 34.0 1.0 O C:HOH480 4.0 27.8 1.0 CA C:PHE26 4.2 24.1 1.0 CA C:GLY30 4.2 33.8 1.0 C C:LEU29 4.2 34.5 1.0 CA C:GLY28 4.3 28.4 1.0 CB C:ASP47 4.4 23.0 1.0 N C:CYS27 4.4 24.1 1.0 C C:CYS27 4.4 25.1 1.0 N C:GLY31 4.5 34.1 1.0 CA C:CYS27 4.5 24.1 1.0 O C:HOH481 4.5 22.0 1.0 O C:HOH527 4.5 30.7 1.0 N C:LEU29 4.6 31.9 1.0 CB C:PHE26 4.6 24.6 1.0 O C:LEU29 4.6 34.6 1.0 CA C:GLY31 4.7 32.5 1.0 O C:HOH566 4.7 45.9 1.0 CA C:LEU29 4.7 34.5 1.0 O C:CYS43 4.8 24.4 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