Chlorine in PDB 3fvi: Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates

All present enzymatic activity of Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates:
3.1.1.4;

The structure of Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates, PDB code: 3fvi 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)	33.54 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.988, 82.061, 123.824, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 27.5

The structure of Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates (pdb code 3fvi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates, PDB code: 3fvi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:29.1 occ:1.00 OD1 A:ASP49 3.1 17.7 1.0 CA A:CA125 3.3 33.1 1.0 OH A:TYR69 3.4 19.0 1.0 N A:GLY30 3.9 18.1 1.0 O A:GLY30 4.0 19.8 1.0 O A:TYR28 4.0 17.6 1.0 ND1 A:HIS48 4.0 14.1 1.0 CG A:ASP49 4.2 15.9 1.0 CB A:CYS45 4.4 16.4 1.0 OD2 A:ASP49 4.4 18.0 1.0 CA A:CYS29 4.4 16.4 1.0 O A:CYS45 4.7 15.6 1.0 CE1 A:HIS48 4.7 13.7 1.0 C A:CYS29 4.7 16.7 1.0 C A:GLY30 4.7 20.1 1.0 CA A:GLY30 4.7 18.9 1.0 CZ A:TYR69 4.7 17.2 1.0 CG A:HIS48 4.7 11.8 1.0 SG A:CYS45 4.7 15.9 1.0 O A:HOH147 4.8 21.0 1.0 CA A:CYS45 4.9 16.6 1.0 C A:TYR28 5.0 18.1 1.0 CB A:HIS48 5.0 11.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl127 b:30.3 occ:1.00 NZ D:LYS56 2.7 30.1 1.0 ND2 D:ASN67 2.9 33.0 1.0 ND2 C:ASN67 3.0 19.9 1.0 CE D:LYS56 3.4 27.3 1.0 O C:HOH140 3.5 17.2 1.0 NZ C:LYS56 3.5 28.9 1.0 CG D:ASN67 3.7 32.2 1.0 OD1 D:ASN67 3.8 34.4 1.0 CD2 D:TYR69 4.1 28.9 1.0 CE2 D:TYR69 4.2 29.0 1.0 CG C:ASN67 4.2 21.6 1.0 CE2 C:TYR69 4.3 19.6 1.0 CD2 C:TYR69 4.4 19.0 1.0 CD D:LYS56 4.5 24.9 1.0 CE C:LYS56 4.5 28.6 1.0 OD1 C:ASN67 4.7 23.1 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