Calcium in PDB 1l8s: Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + Phosphate Ions)

All present enzymatic activity of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + Phosphate Ions):
3.1.1.4;

The structure of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + Phosphate Ions), PDB code: 1l8s was solved by Y.H.Pan, B.J.Bahnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.55
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	65.166, 65.166, 62.963, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 24.6

The structure of Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + Phosphate Ions) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + Phosphate Ions) (pdb code 1l8s). 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 + Lpc-Ether + Acetate + Phosphate Ions), PDB code: 1l8s:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + 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 + Lpc-Ether + Acetate + Phosphate Ions) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca313 b:50.6 occ:1.00 OD2 A:ASP49 2.5 25.7 1.0 O A:TYR28 2.7 19.9 1.0 O A:GLY30 2.8 25.0 1.0 OD1 A:ASP49 2.9 25.1 1.0 CG A:ASP49 3.1 22.2 1.0 O A:GLY32 3.5 65.1 1.0 O A:ACT321 3.5 29.6 1.0 CA A:GLY33 3.5 34.8 1.0 N A:GLY33 3.6 41.1 1.0 C A:GLY32 3.6 48.8 1.0 C A:TYR28 3.7 22.6 1.0 C A:GLY30 3.8 36.0 1.0 C A:LEU31 3.9 30.4 1.0 CA A:TYR28 4.0 22.3 1.0 O A:LEU31 4.0 53.3 1.0 O A:HOH375 4.2 32.4 1.0 N A:GLY32 4.2 40.7 1.0 O A:HOH390 4.3 27.6 1.0 CA A:LEU31 4.3 34.5 1.0 N A:GLY30 4.3 20.8 1.0 C A:ACT321 4.4 34.8 1.0 N A:LEU31 4.4 38.0 1.0 CB A:TYR28 4.4 23.4 1.0 O A:HOH418 4.5 30.9 1.0 CB A:ASP49 4.5 20.2 1.0 CD1 A:TYR28 4.5 20.0 1.0 CA A:GLY32 4.5 36.1 1.0 OXT A:ACT321 4.6 26.2 1.0 CA A:GLY30 4.7 28.4 1.0 N A:CYS29 4.8 21.1 1.0 C A:GLY33 4.8 37.9 1.0 CG A:TYR28 4.9 18.4 1.0

Calcium binding site 2 out of 2 in the Carboxylic Ester Hydrolase Complex (Dimeric PLA2 + Lpc-Ether + Acetate + 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 + Lpc-Ether + Acetate + Phosphate Ions) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca314 b:39.0 occ:1.00 O B:TYR28 2.2 22.0 1.0 O B:GLY32 2.5 33.2 1.0 OD2 B:ASP49 2.5 25.9 1.0 O B:GLY30 2.5 30.7 1.0 O B:HOH465 2.7 44.3 1.0 OD1 B:ASP49 2.7 22.8 1.0 CG B:ASP49 3.0 21.9 1.0 C B:GLY32 3.1 29.3 1.0 C B:TYR28 3.3 21.5 1.0 CA B:GLY32 3.4 38.2 1.0 N B:GLY32 3.6 45.3 1.0 C B:GLY30 3.7 41.8 1.0 N B:GLY30 3.8 35.1 1.0 CA B:TYR28 4.0 24.4 1.0 N B:GLY33 4.2 27.0 1.0 O B:HOH407 4.4 32.9 1.0 CA B:GLY30 4.4 36.1 1.0 N B:CYS29 4.4 18.9 1.0 CB B:TYR28 4.4 22.9 1.0 C B:LEU31 4.4 38.4 1.0 CB B:ASP49 4.5 22.4 1.0 O B:HOH363 4.6 34.4 1.0 CA B:CYS29 4.6 17.1 1.0 C B:CYS29 4.7 27.7 1.0 N B:LEU31 4.8 47.2 1.0 O B:CYS45 4.8 22.0 1.0 CA B:GLY33 4.9 25.6 1.0

Y.H.Pan, B.-Z.Yu, O.G.Berg, M.K.Jain, B.J.Bahnson. Crystal Structure of Phospholipase A2 Complex with the Hydrolysis Products of Platelet Activating Factor: Equilibrium Binding of Fatty Acid and Lysophospholipid-Ether at the Active Site May Be Mutually Exclusive Biochemistry V. 41 14790 2002.
ISSN: ISSN 0006-2960
PubMed: 12475227
DOI: 10.1021/BI026922R