Calcium in PDB 4o1y: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic Acid

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic Acid:
3.1.1.4;

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic Acid, PDB code: 4o1y was solved by K.V.Dileep, C.Remya, I.Tintu, P.K.Mandal, P.Karthe, M.Haridas, C.Sadasivan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.92 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.360, 68.360, 70.120, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 24.5

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic Acid (pdb code 4o1y). 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 1-Naphthaleneacetic Acid, PDB code: 4o1y:
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 1-Naphthaleneacetic 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 1-Naphthaleneacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:25.8 occ:0.50 OE1 A:GLU71 1.9 35.3 1.0 O A:SER72 2.2 27.4 1.0 OE1 A:GLU92 2.6 28.2 1.0 CD A:GLU71 3.1 34.9 1.0 C A:SER72 3.2 28.1 1.0 N A:SER72 3.3 29.4 1.0 CD A:GLU92 3.5 28.1 1.0 O A:HOH306 3.7 43.5 1.0 CA A:SER72 3.7 27.9 1.0 CG A:GLU92 3.9 26.8 1.0 CG A:GLU71 4.0 31.7 1.0 OE2 A:GLU71 4.0 36.4 1.0 CB A:SER72 4.1 29.0 1.0 C A:GLU71 4.2 29.9 1.0 CA A:GLU71 4.4 29.8 1.0 N A:TYR73 4.4 29.4 1.0 OG A:SER72 4.6 28.2 1.0 OE2 A:GLU92 4.6 28.0 1.0 CB A:GLU71 4.7 30.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic 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 1-Naphthaleneacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:40.0 occ:1.00 O A:TYR28 2.3 35.4 1.0 O A:GLY30 2.3 46.8 1.0 OD2 A:ASP49 2.3 42.0 1.0 O A:GLY32 2.4 45.1 1.0 O A:HOH322 2.5 34.2 1.0 O A:HOH334 2.5 35.1 1.0 OD1 A:ASP49 2.6 35.3 1.0 CG A:ASP49 2.8 38.2 1.0 C A:TYR28 3.5 36.0 1.0 C A:GLY30 3.5 46.4 1.0 C A:GLY32 3.5 44.4 1.0 N A:GLY30 3.7 44.5 1.0 N A:GLY32 4.0 45.1 1.0 C A:LEU31 4.2 46.4 1.0 CA A:TYR28 4.2 34.8 1.0 CA A:GLY32 4.3 44.1 1.0 CA A:GLY30 4.3 43.9 1.0 CB A:ASP49 4.3 38.7 1.0 O A:HOH305 4.5 23.7 1.0 N A:CYS29 4.5 37.9 1.0 N A:LEU31 4.5 47.0 1.0 O A:LEU31 4.5 46.0 1.0 CA A:LEU31 4.6 45.6 1.0 N A:GLY33 4.6 41.5 1.0 C A:CYS29 4.6 42.3 1.0 O2 A:NLA201 4.6 71.8 1.0 O A:HOH326 4.6 46.3 1.0 CB A:TYR28 4.7 33.3 1.0 CA A:CYS29 4.7 40.9 1.0 O A:HOH319 4.8 35.3 1.0 C12 A:NLA201 4.8 78.2 1.0 O A:CYS45 4.9 34.0 1.0 CA A:GLY33 4.9 38.4 1.0 O1 A:NLA201 4.9 71.6 1.0 CD1 A:TYR28 5.0 34.2 1.0

K.V.Dileep, C.Remya, I.Tintu, P.K.Mandal, P.Karthe, M.Haridas, C.Sadasivan. Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1-Naphthaleneacetic Acid To Be Published.