Calcium in PDB 3qlm: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid:
3.1.1.4;

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid, PDB code: 3qlm was solved by V.Aparna, K.V.Dileep, P.Karthe, P.K.Mandal, C.Sadasivan, M.Haridas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.260, 69.260, 69.660, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 24.9

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid (pdb code 3qlm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid, PDB code: 3qlm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca125 b:28.4 occ:0.50 OE2 A:GLU71 2.2 30.6 1.0 OE1 A:GLU92 2.2 26.4 1.0 O A:SER72 2.3 25.2 1.0 CD A:GLU71 3.3 32.3 1.0 CD A:GLU92 3.3 24.8 1.0 C A:SER72 3.4 25.3 1.0 N A:SER72 3.7 25.8 1.0 CG A:GLU92 3.8 21.5 1.0 O A:HOH129 3.9 30.4 1.0 CA A:SER72 4.0 24.9 1.0 OE1 A:GLU71 4.1 35.2 1.0 CG A:GLU71 4.1 28.6 1.0 CB A:SER72 4.4 25.3 1.0 OE2 A:GLU92 4.4 26.4 1.0 C A:GLU71 4.5 27.0 1.0 N A:TYR73 4.6 25.6 1.0 CA A:GLU71 4.8 26.8 1.0 CB A:GLU71 4.9 27.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with N-Hexadecanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca126 b:66.8 occ:1.00 O A:GLY32 2.5 43.7 1.0 O A:TYR28 2.5 32.2 1.0 O A:HOH156 2.6 36.5 1.0 OD1 A:ASP49 2.8 35.4 1.0 OD2 A:ASP49 2.9 39.8 1.0 O A:GLY30 2.9 47.0 1.0 CG A:ASP49 3.2 32.5 1.0 C A:GLY32 3.6 42.6 1.0 C A:TYR28 3.7 32.5 1.0 N A:GLY32 3.8 45.6 1.0 C A:GLY30 3.8 45.7 1.0 C A:LEU31 4.0 46.6 1.0 CA A:GLY32 4.1 44.1 1.0 N A:GLY30 4.3 41.5 1.0 CA A:TYR28 4.3 31.2 1.0 CA A:LEU31 4.4 47.7 1.0 O A:HOH153 4.5 28.9 1.0 N A:LEU31 4.5 47.2 1.0 O A:LEU31 4.5 46.0 1.0 CB A:ASP49 4.7 30.0 1.0 CB A:TYR28 4.7 29.5 1.0 N A:GLY33 4.7 40.5 1.0 CA A:GLY30 4.7 43.6 1.0 N A:CYS29 4.8 34.7 1.0 CD1 A:TYR28 4.9 29.7 1.0 CA A:CYS29 5.0 37.0 1.0

V.Aparna, K.V.Dileep, P.K.Mandal, P.Karthe, C.Sadasivan, M.Haridas. Anti-Inflammatory Property of N-Hexadecanoic Acid: Structural Evidence and Kinetic Assessment. Chem.Biol.Drug Des. 2012.
ISSN: ESSN 1747-0285
PubMed: 22642495
DOI: 10.1111/J.1747-0285.2012.01418.X