Calcium in PDB 2b00: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate:
3.1.1.4;

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate, PDB code: 2b00 was solved by Y.H.Pan, B.J.Bahnson, M.K.Jain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.27 / 1.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.577, 69.577, 64.184, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 21

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate (pdb code 2b00). 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 Glycocholate, PDB code: 2b00:
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 Glycocholate


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 Glycocholate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca252 b:44.1 occ:1.00 O A:TYR28 2.2 21.2 1.0 OD2 A:ASP49 2.4 24.8 1.0 O A:GLY30 2.4 32.1 1.0 O A:GLY32 2.5 33.4 1.0 O A:HOH274 2.9 36.8 1.0 OD1 A:ASP49 3.0 27.3 1.0 CG A:ASP49 3.0 24.2 1.0 O A:HOH305 3.1 25.8 1.0 C A:TYR28 3.3 19.1 1.0 C A:GLY32 3.6 33.1 1.0 C A:GLY30 3.6 30.2 1.0 N A:GLY32 3.8 35.4 1.0 CA A:TYR28 3.8 18.6 1.0 N A:GLY30 4.0 21.8 1.0 C A:LEU31 4.1 35.1 1.0 CB A:TYR28 4.1 17.9 1.0 CA A:GLY32 4.2 34.4 1.0 CD1 A:TYR28 4.4 18.5 1.0 CA A:LEU31 4.4 34.9 1.0 N A:CYS29 4.4 17.9 1.0 N A:LEU31 4.5 32.7 1.0 O A:HOH304 4.5 31.8 1.0 CB A:ASP49 4.5 19.2 1.0 CA A:GLY30 4.5 27.0 1.0 O A:LEU31 4.6 35.1 1.0 O A:HOH348 4.7 35.7 1.0 O A:CYS45 4.7 15.4 1.0 CA A:CYS29 4.7 18.0 1.0 C A:CYS29 4.7 20.2 1.0 N A:GLY33 4.7 30.2 1.0 O A:HOH365 4.7 31.3 1.0 CG A:TYR28 4.8 18.9 1.0 O A:HOH273 4.9 23.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate


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 Glycocholate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca253 b:6.0 occ:0.50 O A:SER72 2.3 16.7 1.0 OE2 A:GLU71 2.3 18.3 1.0 OE1 A:GLU92 2.4 17.2 1.0 CD A:GLU92 3.3 16.3 1.0 C A:SER72 3.4 16.4 1.0 CD A:GLU71 3.5 20.9 1.0 N A:SER72 3.6 14.7 1.0 CG A:GLU92 3.8 14.8 1.0 CA A:SER72 3.9 16.2 1.0 O A:HOH287 4.0 19.3 1.0 CB A:SER72 4.1 17.0 1.0 OE1 A:GLU71 4.3 24.5 1.0 CG A:GLU71 4.4 19.2 1.0 C A:GLU71 4.4 15.5 1.0 OE2 A:GLU92 4.4 16.7 1.0 N A:TYR73 4.5 16.5 1.0 CA A:GLU71 4.8 16.8 1.0 CA A:TYR73 5.0 16.7 1.0

Y.H.Pan, B.J.Bahnson. Structural Basis For Bile Salt Inhibition of Pancreatic Phospholipase A2. J.Mol.Biol. V. 369 439 2007.
ISSN: ISSN 0022-2836
PubMed: 17434532
DOI: 10.1016/J.JMB.2007.03.034