Zinc in PDB 7p4o: Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc

All present enzymatic activity of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc:
3.1.4.39;

The structure of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc, PDB code: 7p4o 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)	60.29 / 1.69
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.841, 62.361, 64.356, 103.7, 98.37, 93.44
R / Rfree (%)	17.1 / 20.6

The structure of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Iodine	(I)	12 atoms

The binding sites of Zinc atom in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc (pdb code 7p4o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc, PDB code: 7p4o:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn902 b:22.1 occ:0.92 NE2 A:HIS315 2.0 19.1 1.0 NE2 A:HIS474 2.0 16.6 1.0 OD1 A:ASP311 2.3 26.0 1.0 O A:HOH1010 2.4 28.9 1.0 OD2 A:ASP311 2.4 24.0 1.0 O A:HOH1363 2.6 34.6 1.0 CG A:ASP311 2.7 22.6 1.0 CD2 A:HIS315 3.0 20.6 1.0 CE1 A:HIS474 3.0 19.6 1.0 CE1 A:HIS315 3.0 21.0 1.0 CD2 A:HIS474 3.0 19.2 1.0 O A:HOH1083 4.0 22.3 1.0 CE1 A:HIS359 4.1 19.2 1.0 ND1 A:HIS474 4.1 16.9 1.0 ND1 A:HIS315 4.1 22.1 1.0 CG A:HIS315 4.1 18.3 1.0 CG A:HIS474 4.2 15.1 1.0 CB A:ASP311 4.2 22.7 1.0 O A:HOH1060 4.3 41.4 1.0 NE2 A:HIS359 4.3 18.8 1.0 CE A:MET361 4.4 18.3 1.0 O A:HOH1024 4.5 39.4 1.0 OD1 A:ASP171 4.6 27.4 1.0 ZN A:ZN903 4.6 15.9 0.4 OG1 A:THR209 4.6 19.8 1.0 O A:ASP311 4.9 22.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn903 b:15.9 occ:0.42 OD1 A:ASP171 1.8 27.4 1.0 OG1 A:THR209 2.0 19.8 1.0 NE2 A:HIS359 2.0 18.8 1.0 OD2 A:ASP358 2.1 23.9 1.0 O A:HOH1010 2.5 28.9 1.0 CG A:ASP171 2.6 33.6 1.0 CD2 A:HIS359 2.8 19.5 1.0 OD2 A:ASP171 2.9 35.5 1.0 CG A:ASP358 3.0 20.1 1.0 CB A:THR209 3.0 17.7 1.0 CE1 A:HIS359 3.1 19.2 1.0 OD1 A:ASP358 3.3 20.0 1.0 CA A:THR209 3.4 17.1 1.0 CG2 A:THR209 3.4 23.1 1.0 H A:GLY172 3.6 23.4 1.0 N A:THR209 3.9 14.1 1.0 CB A:ASP171 4.0 25.9 1.0 CG A:HIS359 4.0 15.9 1.0 ND1 A:HIS359 4.0 15.9 1.0 O A:HOH1060 4.1 41.4 1.0 N A:GLY172 4.1 19.4 1.0 O A:HOH1083 4.1 22.3 1.0 OD1 A:ASP311 4.3 26.0 1.0 CA A:ASP171 4.3 21.2 1.0 CE1 A:HIS474 4.3 19.6 1.0 CB A:ASP358 4.3 14.3 1.0 CG A:ASP311 4.5 22.6 1.0 ZN A:ZN902 4.6 22.1 0.9 C A:ASP171 4.6 22.2 1.0 NE2 A:HIS474 4.7 16.6 1.0 C A:LYS208 4.7 16.7 1.0 HA2 A:GLY172 4.8 22.7 1.0 C A:THR209 4.8 15.5 1.0 OD2 A:ASP311 4.8 24.0 1.0 CA A:GLY172 4.9 18.9 1.0 HA3 A:GLY172 5.0 22.7 1.0 CB A:ASP311 5.0 22.7 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.