Calcium in PDB 7p4j: Crystal Structure of Autotaxin and Tetrahydrocannabinol

All present enzymatic activity of Crystal Structure of Autotaxin and Tetrahydrocannabinol:
3.1.4.39;

The structure of Crystal Structure of Autotaxin and Tetrahydrocannabinol, PDB code: 7p4j was solved by M.C.Eymery, A.A.Mccarthy, J.Hausmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.24 / 1.79
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.705, 60.979, 63.603, 103.15, 97.39, 94.23
R / Rfree (%)	18.3 / 24.1

The structure of Crystal Structure of Autotaxin and Tetrahydrocannabinol also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Zinc	(Zn)	2 atoms
Iodine	(I)	19 atoms

The binding sites of Calcium atom in the Crystal Structure of Autotaxin and Tetrahydrocannabinol (pdb code 7p4j). 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 Autotaxin and Tetrahydrocannabinol, PDB code: 7p4j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


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 Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca935 b:15.3 occ:1.00 OD1 A:ASP739 2.2 12.9 1.0 OD1 A:ASP747 2.3 14.6 1.0 O A:LEU745 2.3 11.1 1.0 OD1 A:ASN741 2.3 17.7 1.0 O A:HOH1174 2.3 22.0 1.0 OD1 A:ASP743 2.4 14.5 1.0 CG A:ASP743 3.3 15.8 1.0 CG A:ASN741 3.3 20.5 1.0 CG A:ASP739 3.4 14.4 1.0 C A:LEU745 3.4 15.1 1.0 CG A:ASP747 3.5 20.6 1.0 OD2 A:ASP743 3.6 16.2 1.0 ND2 A:ASN741 3.7 25.9 1.0 CA A:ASP739 3.9 19.1 1.0 N A:ASP747 3.9 14.0 1.0 N A:LEU745 4.0 11.5 1.0 CB A:ASP739 4.1 14.8 1.0 CA A:ASP747 4.1 17.3 1.0 CA A:LEU745 4.1 19.2 1.0 C A:ARG746 4.2 15.6 1.0 N A:ASP743 4.3 15.4 1.0 OD2 A:ASP739 4.3 12.6 1.0 CB A:LEU745 4.4 13.9 1.0 OD2 A:ASP747 4.4 16.3 1.0 CB A:ASP747 4.4 19.7 1.0 O A:ARG746 4.4 18.9 1.0 O A:PHE738 4.4 14.7 1.0 C A:ASP739 4.4 16.8 1.0 N A:ARG746 4.5 12.6 1.0 N A:ASN741 4.5 16.2 1.0 CB A:ASP743 4.6 13.0 1.0 N A:TYR740 4.7 13.9 1.0 CB A:ASN741 4.7 15.4 1.0 N A:TYR742 4.7 16.5 1.0 OE1 A:GLU751 4.7 28.3 1.0 CA A:ARG746 4.8 14.6 1.0 CA A:ASP743 4.8 14.2 1.0 C A:ASN741 4.9 18.2 1.0 N A:GLY744 4.9 14.9 1.0 CA A:ASN741 4.9 17.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


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 Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca936 b:49.7 occ:1.00 O A:MET675 2.4 24.4 1.0 O A:ASP672 2.5 22.5 1.0 O A:TYR669 2.7 28.3 1.0 O A:HOH1359 3.2 34.7 1.0 C A:MET675 3.5 25.3 1.0 C A:ASP672 3.7 28.6 1.0 C A:TYR669 3.7 31.5 1.0 N A:MET675 4.1 24.2 1.0 N A:SER676 4.3 19.7 1.0 CA A:MET675 4.4 23.1 1.0 C A:LYS673 4.4 30.6 1.0 CA A:TYR669 4.4 24.5 1.0 CA A:SER676 4.4 18.9 1.0 CA A:LYS673 4.5 31.8 1.0 N A:LYS673 4.5 35.9 1.0 N A:LYS670 4.6 26.8 1.0 CA A:ASP672 4.6 23.9 1.0 N A:GLN674 4.7 29.4 1.0 O A:LYS673 4.7 27.2 1.0 CB A:TYR669 4.7 21.5 1.0 CA A:LYS670 4.7 32.4 1.0 N A:ASP672 4.7 31.6 1.0 O A:LYS670 4.8 34.5 1.0 CB A:ASP672 4.8 26.3 1.0 C A:LYS670 4.9 27.3 1.0 C A:GLN674 4.9 27.3 1.0

M.C.Eymery, A.A.Andrew, J.Hausmann. Linking the Endocannabinoid System and Medicinal Cannabis to Autotaxin-Lysophosphatic Acid Signaling To Be Published.