Calcium in PDB 1fdk: Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex)

All present enzymatic activity of Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex):
3.1.1.4;

The structure of Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex), PDB code: 1fdk was solved by M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.91
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.360, 46.360, 102.560, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 28

The structure of Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex) (pdb code 1fdk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex), PDB code: 1fdk:

Calcium binding site 1 out of 1 in the Carboxylic Ester Hydrolase (PLA2-MJ33 Inhibitor Complex)


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 (PLA2-MJ33 Inhibitor Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca124 b:25.7 occ:1.00 O A:GLY32 2.2 19.9 1.0 OD2 A:ASP49 2.2 21.0 1.0 O22 A:GLE150 2.3 41.2 1.0 O A:GLY30 2.4 25.0 1.0 O A:TYR28 2.6 17.0 1.0 OD1 A:ASP49 2.7 19.4 1.0 CG A:ASP49 2.8 18.3 1.0 C A:GLY32 3.4 23.0 1.0 C A:GLY30 3.6 25.2 1.0 P2 A:GLE150 3.6 45.7 1.0 N A:GLY32 3.6 27.6 1.0 C A:TYR28 3.8 15.1 1.0 O21 A:GLE150 3.9 39.2 1.0 CA A:GLY32 4.0 24.4 1.0 N A:GLY30 4.1 22.4 1.0 C A:LEU31 4.1 27.7 1.0 CB A:ASP49 4.2 16.6 1.0 N A:GLY33 4.4 23.1 1.0 CA A:LEU31 4.4 29.0 1.0 O2 A:GLE150 4.5 44.2 1.0 CA A:TYR28 4.5 16.2 1.0 N A:LEU31 4.5 26.7 1.0 CA A:GLY30 4.5 23.9 1.0 O A:HOH245 4.7 36.9 1.0 O23 A:GLE150 4.7 44.1 1.0 CA A:GLY33 4.7 24.5 1.0 O A:HOH246 4.7 33.5 1.0 O A:LEU31 4.7 28.6 1.0 OH A:TYR69 4.7 53.1 1.0 N A:CYS29 4.8 16.9 1.0 C A:CYS29 4.8 19.1 1.0 CA A:CYS29 4.9 16.7 1.0 CB A:TYR28 4.9 14.6 1.0 C2P A:GLE150 5.0 40.7 1.0

K.Sekar, S.Eswaramoorthy, M.K.Jain, M.Sundaralingam. Crystal Structure of the Complex of Bovine Pancreatic Phospholipase A2 with the Inhibitor 1-Hexadecyl-3-(Trifluoroethyl)-Sn-Glycero-2-Phosphomethanol, . Biochemistry V. 36 14186 1997.
ISSN: ISSN 0006-2960
PubMed: 9369492
DOI: 10.1021/BI971370B