Calcium in PDB 1fxf: Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions)

All present enzymatic activity of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions):
3.1.1.4;

The structure of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions), PDB code: 1fxf was solved by Y.H.Pan, T.M.Epstein, 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)	8.00 / 1.85
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	65.039, 65.039, 62.752, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 26.8

The structure of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions) (pdb code 1fxf). 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 Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions), PDB code: 1fxf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions)


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 Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca290 b:33.9 occ:1.00 O A:GLY32 2.1 26.7 1.0 O A:HOH304 2.2 34.6 1.0 OD2 A:ASP49 2.4 32.9 1.0 O A:GLY30 2.4 25.0 1.0 O A:TYR28 2.6 24.9 1.0 OD1 A:ASP49 2.8 23.6 1.0 O21 A:MJI297 2.9 23.6 1.0 CG A:ASP49 2.9 31.3 1.0 C A:GLY32 3.2 41.7 1.0 N A:GLY32 3.6 48.4 1.0 C A:GLY30 3.6 37.1 1.0 C A:TYR28 3.7 19.2 1.0 CA A:GLY32 3.8 46.5 1.0 N A:GLY30 3.9 19.4 1.0 P2 A:MJI297 4.1 33.9 1.0 C A:LEU31 4.1 46.4 1.0 CA A:TYR28 4.2 17.1 1.0 N A:GLY33 4.3 39.7 1.0 O A:HOH421 4.3 50.5 1.0 O A:HOH385 4.4 27.7 1.0 CB A:ASP49 4.4 24.8 1.0 O A:HOH300 4.4 33.9 1.0 O A:HOH301 4.4 26.9 1.0 O22 A:MJI297 4.4 21.7 1.0 CA A:GLY30 4.5 29.4 1.0 CA A:LEU31 4.5 46.7 1.0 O A:HOH335 4.5 19.7 1.0 N A:LEU31 4.6 44.9 1.0 O A:HOH384 4.6 21.9 1.0 CA A:GLY33 4.6 45.8 1.0 O A:LEU31 4.7 38.1 1.0 CB A:TYR28 4.7 25.3 1.0 O2 A:MJI297 4.7 36.9 1.0 N A:CYS29 4.8 19.8 1.0 C A:CYS29 4.8 18.4 1.0 CA A:CYS29 4.8 12.8 1.0

Calcium binding site 2 out of 2 in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions)


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 Complex (Dimeric PLA2 + MJ33 Inhibitor + Phosphate Ions) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca291 b:39.1 occ:1.00 O B:GLY30 2.3 26.6 1.0 O B:TYR28 2.6 16.4 1.0 O B:GLY32 2.7 52.2 1.0 OD1 B:ASP49 2.7 17.0 1.0 OD2 B:ASP49 2.7 18.9 1.0 O B:HOH369 3.1 36.5 1.0 CG B:ASP49 3.1 17.3 1.0 C B:GLY30 3.5 23.6 1.0 C B:TYR28 3.8 21.6 1.0 C B:GLY32 3.8 44.4 1.0 N B:GLY30 3.9 27.8 1.0 O B:HOH395 4.2 39.5 1.0 C B:LEU31 4.3 28.3 1.0 N B:GLY32 4.3 34.4 1.0 O B:HOH368 4.3 26.0 1.0 CA B:GLY30 4.3 22.5 1.0 CA B:TYR28 4.5 25.6 1.0 N B:LEU31 4.5 30.5 1.0 O B:LEU31 4.5 59.0 1.0 CA B:LEU31 4.6 30.1 1.0 CA B:GLY32 4.6 39.5 1.0 CB B:ASP49 4.6 26.6 1.0 N B:CYS29 4.8 15.2 1.0 CA B:CYS29 4.8 24.5 1.0 C B:CYS29 4.8 29.6 1.0 N B:GLY33 4.8 26.3 1.0 O B:CYS45 4.9 21.6 1.0 C17 A:MJI297 4.9 39.8 0.7 CB B:TYR28 4.9 23.1 1.0

Y.H.Pan, T.M.Epstein, M.K.Jain, B.J.Bahnson. Five Coplanar Anion Binding Sites on One Face of Phospholipase A2: Relationship to Interface Binding. Biochemistry V. 40 609 2001.
ISSN: ISSN 0006-2960
PubMed: 11170377
DOI: 10.1021/BI002514G