Calcium in PDB 1kvy: Carboxylic Ester Hydrolase, Single Mutant D49E Coordinated to Calcium

All present enzymatic activity of Carboxylic Ester Hydrolase, Single Mutant D49E Coordinated to Calcium:
3.1.1.4;

The structure of Carboxylic Ester Hydrolase, Single Mutant D49E Coordinated to Calcium, PDB code: 1kvy was solved by M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.870, 46.870, 103.040, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 27.7

The binding sites of Calcium atom in the Carboxylic Ester Hydrolase, Single Mutant D49E Coordinated to Calcium (pdb code 1kvy). 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, Single Mutant D49E Coordinated to Calcium, PDB code: 1kvy:

Calcium binding site 1 out of 1 in the Carboxylic Ester Hydrolase, Single Mutant D49E Coordinated to Calcium


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, Single Mutant D49E Coordinated to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca124 b:47.6 occ:1.00 O A:GLY32 2.1 49.0 1.0 OE2 A:GLU49 2.2 38.1 1.0 O A:TYR28 2.2 26.0 1.0 O A:GLY30 2.5 39.1 1.0 C A:GLY32 3.3 48.9 1.0 CD A:GLU49 3.3 35.6 1.0 C A:TYR28 3.4 23.9 1.0 C A:GLY30 3.6 39.5 1.0 N A:GLY32 3.8 49.7 1.0 CG A:GLU49 4.0 32.2 1.0 O A:HOH250 4.0 47.5 1.0 N A:GLY30 4.0 30.3 1.0 C A:LEU31 4.0 49.3 1.0 CA A:TYR28 4.0 24.1 1.0 CA A:GLY32 4.1 50.2 1.0 N A:GLY33 4.3 46.6 1.0 OE1 A:GLU49 4.4 33.3 1.0 N A:CYS29 4.4 24.1 1.0 N A:LEU31 4.4 43.7 1.0 CA A:LEU31 4.4 48.4 1.0 O A:LEU31 4.4 48.7 1.0 CA A:GLY30 4.5 35.2 1.0 CA A:GLY33 4.5 44.2 1.0 C A:CYS29 4.5 26.6 1.0 CA A:CYS29 4.6 24.9 1.0 CB A:TYR28 4.7 21.9 1.0

K.Sekar, R.Biswas, Y.Li, M.Tsai, M.Sundaralingam. Structures of the Catalytic Site Mutants D99A and H48Q and the Calcium-Loop Mutant D49E of Phospholipase A2. Acta Crystallogr.,Sect.D V. 55 443 1999.
ISSN: ISSN 0907-4449
PubMed: 10089353
DOI: 10.1107/S0907444998013699