Calcium in PDB 3o4m: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1,2-Dihydroxybenzene

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1,2-Dihydroxybenzene:
3.1.1.4;

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1,2-Dihydroxybenzene, PDB code: 3o4m was solved by K.V.Dileep, I.Tintu, P.Karthe, P.K.Mandal, M.Haridas, C.Sadasivan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.240, 69.240, 69.670, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.3

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1,2-Dihydroxybenzene (pdb code 3o4m). 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 1,2-Dihydroxybenzene, PDB code: 3o4m:
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 1,2-Dihydroxybenzene


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 1,2-Dihydroxybenzene within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca125 b:29.8 occ:0.50 OE2 A:GLU71 2.3 32.8 1.0 OE1 A:GLU92 2.3 33.0 1.0 O A:SER72 2.4 23.9 1.0 CD A:GLU92 3.3 27.7 1.0 CD A:GLU71 3.4 33.9 1.0 C A:SER72 3.5 23.7 1.0 CG A:GLU92 3.7 23.6 1.0 N A:SER72 3.7 24.7 1.0 O A:HOH506 4.0 18.8 1.0 CA A:SER72 4.1 23.9 1.0 OE1 A:GLU71 4.3 36.9 1.0 CG A:GLU71 4.3 27.0 1.0 CB A:SER72 4.3 25.0 1.0 OE2 A:GLU92 4.4 25.8 1.0 C A:GLU71 4.6 25.1 1.0 N A:TYR73 4.6 24.0 1.0 CA A:GLU71 4.9 24.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 1,2-Dihydroxybenzene


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 1,2-Dihydroxybenzene within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca126 b:67.0 occ:1.00 O A:GLY32 2.5 41.1 1.0 OD2 A:ASP49 2.6 40.7 1.0 O A:HOH523 2.6 32.7 1.0 OD1 A:ASP49 2.7 33.9 1.0 O A:TYR28 2.7 32.4 1.0 CG A:ASP49 3.0 34.4 1.0 C A:TYR28 3.6 32.1 1.0 C A:GLY32 3.6 40.2 1.0 N A:GLY32 3.9 44.3 1.0 N A:GLY30 4.1 40.3 1.0 C A:LEU31 4.2 45.5 1.0 O A:GLY30 4.2 46.3 1.0 CA A:GLY32 4.3 42.7 1.0 CA A:TYR28 4.4 30.8 1.0 N A:CYS29 4.4 34.2 1.0 C A:GLY30 4.4 45.0 1.0 CB A:ASP49 4.5 30.8 1.0 O A:HOH541 4.5 17.2 1.0 CA A:LEU31 4.5 46.3 1.0 CB A:TYR28 4.5 28.8 1.0 CA A:CYS29 4.6 36.0 1.0 O A:LEU31 4.7 45.9 1.0 CD1 A:TYR28 4.7 26.9 1.0 N A:LEU31 4.7 46.9 1.0 N A:GLY33 4.7 37.6 1.0 C A:CYS29 4.8 39.4 1.0 O A:HOH525 4.9 57.6 1.0 CA A:GLY30 5.0 43.0 1.0 CA A:GLY33 5.0 34.4 1.0

K.V.Dileep, I.Tintu, P.K.Mandal, P.Karthe, M.Haridas, C.Sadasivan. Binding to Pla(2) May Contribute to the Anti-Inflammatory Activity of Catechol Chem.Biol.Drug Des. 2011.
ISSN: ESSN 1747-0285
PubMed: 21995306
DOI: 10.1111/J.1747-0285.2011.01258.X