Calcium in PDB 3fvj: Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate

All present enzymatic activity of Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate:
3.1.1.4;

The structure of Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate, PDB code: 3fvj was solved by Y.H.Pan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.87 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.064, 69.064, 68.840, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 24.9

The structure of Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate (pdb code 3fvj). 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 Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate, PDB code: 3fvj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate


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 Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca125 b:69.7 occ:1.00 OD2 A:ASP49 2.3 44.8 1.0 O A:TYR28 2.3 39.5 1.0 O A:GLY30 2.5 54.7 1.0 O A:GLY32 2.7 45.7 1.0 OD1 A:ASP49 2.9 46.5 1.0 CG A:ASP49 3.0 43.2 1.0 C A:TYR28 3.4 40.0 1.0 C A:GLY30 3.5 54.0 1.0 N A:GLY32 3.6 52.5 1.0 C A:GLY32 3.6 47.5 1.0 N A:GLY30 3.7 48.5 1.0 CA A:GLY32 3.9 49.7 1.0 CA A:TYR28 3.9 39.2 1.0 C A:LEU31 4.1 54.3 1.0 O A:HOH165 4.2 38.5 1.0 CA A:GLY30 4.3 51.2 1.0 CB A:TYR28 4.3 36.0 1.0 N A:LEU31 4.4 55.4 1.0 O A:HOH187 4.4 40.0 1.0 O A:HOH141 4.4 57.1 1.0 CB A:ASP49 4.4 40.2 1.0 CA A:LEU31 4.5 56.0 1.0 N A:CYS29 4.5 42.0 1.0 CD1 A:TYR28 4.6 35.3 1.0 N A:GLY33 4.7 46.0 1.0 C A:CYS29 4.7 46.4 1.0 CA A:CYS29 4.8 44.1 1.0 O A:CYS45 4.8 34.4 1.0 O A:LEU31 4.8 54.0 1.0 CG A:TYR28 5.0 35.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate


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 Phospholipase A2 1B Crystallized in the Presence of Octyl Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca126 b:22.9 occ:0.50 O A:SER72 2.3 33.4 1.0 OE2 A:GLU71 2.3 38.5 1.0 OE1 A:GLU92 2.5 30.1 1.0 C A:SER72 3.3 34.5 1.0 CD A:GLU92 3.4 29.4 1.0 CD A:GLU71 3.5 40.0 1.0 N A:SER72 3.7 33.7 1.0 CG A:GLU92 3.8 28.8 1.0 CA A:SER72 3.9 35.1 1.0 CB A:SER72 4.1 36.3 1.0 O A:HOH138 4.3 37.2 1.0 OE1 A:GLU71 4.4 45.3 1.0 CG A:GLU71 4.4 34.7 1.0 OE2 A:GLU92 4.5 32.1 1.0 N A:TYR73 4.5 33.6 1.0 C A:GLU71 4.6 34.3 1.0 OG A:SER72 4.6 45.3 1.0 CA A:TYR73 4.9 32.6 1.0 CA A:GLU71 4.9 33.6 1.0

Y.H.Pan, B.J.Bahnson. Structure of A Premicellar Complex of Alkyl Sulfates with the Interfacial Binding Surfaces of Four Subunits of Phospholipase A2. Biochim.Biophys.Acta V.1804 1443 2010.
ISSN: ISSN 0006-3002
PubMed: 20302975
DOI: 10.1016/J.BBAPAP.2010.03.004