Iodine 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
Calcium	(Ca)	2 atoms
Zinc	(Zn)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Autotaxin and Tetrahydrocannabinol (pdb code 7p4j). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 19 binding sites of Iodine where determined in the Crystal Structure of Autotaxin and Tetrahydrocannabinol, PDB code: 7p4j:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I905 b:21.4 occ:0.65 O A:HOH1056 3.2 26.4 1.0 N A:GLU749 3.7 22.7 1.0 NH2 A:ARG746 3.8 24.5 1.0 NH1 A:ARG746 3.9 19.6 1.0 CA A:THR748 4.1 23.6 1.0 CZ A:PHE625 4.2 27.5 1.0 CZ A:ARG746 4.3 24.6 1.0 CB A:THR748 4.4 24.3 1.0 CB A:GLU749 4.4 29.9 1.0 C A:THR748 4.4 26.1 1.0 CE2 A:TYR605 4.6 22.0 1.0 CA A:GLU749 4.6 22.6 1.0 CE2 A:PHE625 4.8 30.4 1.0 CD2 A:TYR605 4.8 22.2 1.0 CG2 A:THR748 4.9 19.0 1.0 O A:ASP747 5.0 15.6 1.0

Iodine binding site 2 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I906 b:16.3 occ:0.78 N A:ASN230 3.5 15.3 1.0 NH1 A:ARG391 3.7 15.1 1.0 CA A:GLY229 3.9 15.8 1.0 N A:SER231 4.1 17.8 1.0 C A:GLY229 4.2 18.7 1.0 CG1 A:VAL385 4.2 21.6 1.0 O A:SER231 4.2 21.3 1.0 CB A:ASN230 4.4 15.8 1.0 CA A:ASN230 4.4 19.0 1.0 CG A:LYS208 4.4 19.0 1.0 CD2 A:LEU389 4.4 21.5 1.0 CE A:LYS208 4.5 21.5 1.0 CD1 A:LEU389 4.5 22.6 1.0 C A:ASN230 4.8 21.2 1.0 CG A:LEU389 4.8 18.7 1.0 CZ A:ARG391 4.8 20.7 1.0 CD A:LYS208 4.9 19.5 1.0 CA A:SER231 5.0 21.2 1.0

Iodine binding site 3 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I907 b:25.6 occ:0.53 NH2 A:ARG393 3.6 31.4 1.0 NH1 A:ARG393 3.8 29.7 1.0 C A:MET232 3.9 16.9 1.0 N A:MET232 4.1 15.3 1.0 N A:TYR233 4.1 16.2 1.0 O A:MET232 4.1 19.8 1.0 CA A:MET232 4.1 17.6 1.0 CZ A:ARG393 4.2 32.4 1.0 CG2 A:VAL385 4.2 17.8 1.0 CE1 A:HIS242 4.2 29.7 1.0 CB A:SER231 4.3 18.1 1.0 CB A:TYR233 4.3 19.3 1.0 C A:SER231 4.5 21.5 1.0 OG A:SER240 4.6 37.4 1.0 CB A:SER240 4.6 22.0 1.0 CA A:TYR233 4.6 16.4 1.0 NE2 A:HIS242 4.8 28.9 1.0 O A:SER231 4.9 21.3 1.0 CA A:SER231 5.0 21.2 1.0

Iodine binding site 4 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I908 b:108.3 occ:1.00 O A:HOH1263 4.0 46.4 1.0 CA A:GLY56 4.3 42.9 1.0 CE1 A:HIS87 4.4 49.6 1.0 O A:GLY56 4.5 44.5 1.0 ND1 A:HIS87 4.6 51.5 1.0 C A:GLY56 4.7 37.2 1.0 O A:HOH1053 4.9 37.5 1.0

Iodine binding site 5 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range:

Iodine binding site 6 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I921 b:38.3 occ:0.37 OG A:SER278 3.3 30.2 1.0 O A:LYS80 3.9 42.5 1.0 N A:SER278 3.9 28.4 1.0 CB A:SER278 3.9 35.4 1.0 CG2 A:VAL277 3.9 32.3 1.0 CB A:LYS80 4.1 33.5 1.0 N A:VAL277 4.1 29.6 1.0 CB A:SER276 4.2 32.6 1.0 C A:LYS80 4.3 41.4 1.0 OG A:SER276 4.6 35.7 1.0 CA A:SER278 4.6 33.5 1.0 C A:SER276 4.7 28.3 1.0 CA A:SER81 4.7 39.3 1.0 CA A:VAL277 4.8 28.9 1.0 C A:VAL277 4.8 29.1 1.0 CA A:SER276 4.8 31.5 1.0 CB A:VAL277 4.9 30.4 1.0 N A:SER81 4.9 40.2 1.0 CA A:LYS80 4.9 34.1 1.0 CG A:LYS80 4.9 42.8 1.0

Iodine binding site 7 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I922 b:33.8 occ:0.43 CG2 A:THR325 3.9 32.8 1.0 CA A:PRO322 4.3 24.1 1.0 CE A:LYS180 4.5 30.5 1.0 NZ A:LYS180 4.5 39.9 1.0 CB A:PRO322 4.8 25.4 1.0 O A:PRO322 4.9 27.8 1.0

Iodine binding site 8 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I923 b:33.4 occ:0.48 OG A:SER846 3.1 36.9 1.0 N A:SER846 3.7 21.1 1.0 CB A:SER846 3.9 25.6 1.0 O A:HOH1290 4.0 26.8 1.0 N A:TYR845 4.2 18.0 1.0 CB A:TYR845 4.4 19.5 1.0 CA A:SER846 4.4 22.2 1.0 CB A:SER844 4.5 25.5 1.0 CG A:ARG540 4.5 45.2 1.0 C A:TYR845 4.6 17.8 1.0 CA A:TYR845 4.6 18.9 1.0 CD A:PRO541 4.6 19.7 1.0 NH1 A:ARG540 4.7 43.1 1.0 CG A:PRO541 4.8 24.5 1.0 CD A:ARG540 4.9 48.3 1.0 C A:SER844 5.0 21.5 1.0 OG A:SER844 5.0 24.5 1.0

Iodine binding site 9 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I924 b:17.1 occ:0.67 O A:HOH1275 3.4 33.6 1.0 N A:LEU458 3.7 20.8 1.0 CD A:PRO457 3.8 17.6 1.0 CB A:LEU458 3.9 32.8 1.0 CB A:PRO457 4.1 21.7 1.0 N A:PRO457 4.1 19.7 1.0 CG A:PRO457 4.2 21.5 1.0 CG A:LYS456 4.4 21.7 1.0 CA A:LEU458 4.4 25.8 1.0 CB A:LYS456 4.4 25.2 1.0 CA A:PRO457 4.5 19.5 1.0 C A:PRO457 4.5 24.9 1.0 CE A:LYS456 4.6 29.2 1.0 CD A:LYS456 4.7 31.4 1.0 C A:LYS456 4.8 20.1 1.0

Iodine binding site 10 out of 19 in the Crystal Structure of Autotaxin and Tetrahydrocannabinol


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Autotaxin and Tetrahydrocannabinol within 5.0Å range: probe atom residue distance (Å) B Occ A:I925 b:118.0 occ:1.00 C A:GLY267 4.0 21.2 1.0 O A:THR264 4.0 19.2 1.0 O A:GLY267 4.1 24.2 1.0 CA A:GLY267 4.1 21.9 1.0 N A:VAL268 4.4 18.1 1.0 C A:VAL268 4.5 19.5 1.0 N A:ARG269 4.5 17.0 1.0 CG2 A:THR264 4.5 23.3 1.0 CA A:ARG269 4.6 16.8 1.0 O A:VAL268 4.6 21.9 1.0 CA A:THR264 4.6 20.0 1.0 C A:THR264 4.8 19.8 1.0 CB A:ARG269 4.8 23.0 1.0 N A:GLY267 4.8 21.8 1.0 CG A:ARG269 5.0 32.6 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.