Calcium in PDB 3hsw: Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione:
3.1.1.4;

The structure of Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione, PDB code: 3hsw 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)	13.65 / 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 / 22.9

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione (pdb code 3hsw). 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 2-Methoxycyclohexa-2-5-Diene-1,4-Dione, PDB code: 3hsw:
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 2-Methoxycyclohexa-2-5-Diene-1,4-Dione


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 2-Methoxycyclohexa-2-5-Diene-1,4-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:36.3 occ:1.00 O A:GLY30 2.3 23.4 1.0 OD2 A:ASP49 2.3 19.2 1.0 O A:GLY32 2.3 21.1 1.0 O A:HOH518 2.4 17.1 1.0 O A:HOH520 2.5 18.1 1.0 OD1 A:ASP49 2.6 15.6 1.0 O A:TYR28 2.7 15.0 1.0 CG A:ASP49 2.8 17.8 1.0 C A:GLY32 3.5 21.0 1.0 C A:GLY30 3.5 22.9 1.0 C A:TYR28 3.6 14.9 1.0 N A:GLY30 3.7 20.5 1.0 N A:GLY32 3.9 22.6 1.0 CA A:GLY32 4.2 21.6 1.0 CA A:TYR28 4.2 13.4 1.0 CA A:GLY30 4.3 21.6 1.0 C A:LEU31 4.3 23.0 1.0 CB A:ASP49 4.3 17.4 1.0 O A:HOH510 4.4 10.0 1.0 O A:HOH534 4.4 42.1 1.0 N A:CYS29 4.5 16.1 1.0 N A:LEU31 4.5 23.3 1.0 C A:CYS29 4.6 19.8 1.0 N A:GLY33 4.6 19.2 1.0 CA A:LEU31 4.6 23.5 1.0 CB A:TYR28 4.7 12.7 1.0 CA A:CYS29 4.7 18.4 1.0 O A:CYS45 4.7 16.0 1.0 O A:HOH529 4.8 22.1 1.0 O A:LEU31 4.8 22.1 1.0 CA A:GLY33 4.9 17.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione


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 2-Methoxycyclohexa-2-5-Diene-1,4-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:29.5 occ:0.50 OE1 A:GLU71 2.1 17.4 1.0 OE1 A:GLU92 2.3 14.4 1.0 O A:SER72 2.5 14.3 1.0 CD A:GLU71 3.4 20.3 1.0 CD A:GLU92 3.4 13.4 1.0 C A:SER72 3.6 14.9 1.0 O A:HOH511 3.7 20.8 1.0 N A:SER72 3.8 14.7 1.0 CG A:GLU92 3.8 10.3 1.0 CA A:SER72 4.1 13.9 1.0 OE2 A:GLU71 4.1 23.4 1.0 CB A:SER72 4.2 14.2 1.0 CG A:GLU71 4.3 15.2 1.0 OE2 A:GLU92 4.4 12.6 1.0 C A:GLU71 4.5 14.1 1.0 N A:TYR73 4.7 16.1 1.0 CA A:GLU71 4.8 13.7 1.0 OG A:SER72 5.0 11.0 1.0

K.V.Dileep, I.Tintu, P.K.Mandal, P.Karthe, M.Haridas, C.Sadasivan. Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-Methoxycyclohexa-2-5-Diene-1,4-Dione Frontiers in Life Sci. 2012.
ISSN: ESSN 2155-3777
DOI: 10.1080/21553769.2012.689262