Iodine in PDB 9eu5: Ssx Structure of Autotaxin at Room Temperature

All present enzymatic activity of Ssx Structure of Autotaxin at Room Temperature:
3.1.4.39;

The structure of Ssx Structure of Autotaxin at Room Temperature, PDB code: 9eu5 was solved by M.C.Eymery, A.A.Mccarthy, N.Foos, S.Basu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.45 / 3.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.51, 61.19, 65.01, 102.57, 99.13, 93.67
R / Rfree (%)	22.5 / 28.1

The structure of Ssx Structure of Autotaxin at Room Temperature also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Zinc	(Zn)	9 atoms
Calcium	(Ca)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Iodine atom in the Ssx Structure of Autotaxin at Room Temperature (pdb code 9eu5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 15 binding sites of Iodine where determined in the Ssx Structure of Autotaxin at Room Temperature, PDB code: 9eu5:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I914 b:118.9 occ:1.00 NH2 A:ARG393 3.7 67.8 1.0 NH1 A:ARG393 4.0 37.9 1.0 CE1 A:HIS242 4.1 74.6 1.0 N A:MET232 4.1 39.7 1.0 CG2 A:VAL385 4.2 36.0 1.0 CB A:SER231 4.3 45.5 1.0 C A:MET232 4.3 40.9 1.0 CZ A:ARG393 4.4 51.4 1.0 OG A:SER240 4.4 59.3 1.0 O A:MET232 4.4 39.8 1.0 CA A:MET232 4.4 41.2 1.0 C A:SER231 4.5 44.7 1.0 NE2 A:HIS242 4.6 70.2 1.0 N A:TYR233 4.6 40.3 1.0 CB A:SER240 4.7 45.9 1.0 CB A:TYR233 4.8 35.1 1.0 CA A:SER231 4.9 49.1 1.0

Iodine binding site 2 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I915 b:109.9 occ:1.00 CD A:PRO457 3.6 55.1 1.0 CG A:LEU458 3.8 66.9 1.0 CD1 A:LEU458 4.0 56.3 1.0 CG A:PRO457 4.1 63.2 1.0 N A:PRO457 4.3 49.8 1.0 N A:LEU458 4.3 56.3 1.0 CB A:PRO457 4.3 55.0 1.0 CB A:LYS456 4.4 61.0 1.0 CD2 A:LEU458 4.6 59.4 1.0 CB A:LEU458 4.7 71.9 1.0 CA A:PRO457 4.8 55.8 1.0 CD A:LYS456 4.8 73.5 1.0 C A:PRO457 5.0 57.5 1.0

Iodine binding site 3 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I916 b:228.8 occ:1.00 O A:PHE420 3.3 52.4 1.0 NZ A:LYS421 3.5 45.0 1.0 SG A:CYS805 3.6 53.9 1.0 OE1 A:GLN418 3.6 57.9 1.0 CD A:GLN418 3.7 47.7 1.0 CA A:LYS421 3.8 48.1 1.0 N A:CYS413 3.8 51.6 1.0 CG A:LYS421 3.8 45.2 1.0 NE2 A:GLN418 3.9 42.8 1.0 CB A:LYS421 3.9 40.5 1.0 C A:PHE420 4.2 44.2 1.0 CD A:PRO422 4.2 47.4 1.0 SG A:CYS413 4.2 60.2 1.0 CA A:CYS413 4.2 44.0 1.0 CE A:LYS421 4.3 41.6 1.0 CG A:GLN418 4.4 43.6 1.0 N A:LYS421 4.4 47.5 1.0 CB A:GLN418 4.5 47.2 1.0 O A:LEU411 4.5 46.2 1.0 CD A:LYS421 4.7 43.2 1.0 CB A:CYS413 4.8 51.7 1.0 C A:THR412 4.9 53.6 1.0 C A:LYS421 5.0 48.2 1.0

Iodine binding site 4 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I917 b:46.7 occ:1.00 N A:ASN230 3.6 41.3 1.0 NH1 A:ARG391 3.7 31.1 1.0 N A:SER231 3.8 46.7 1.0 CG1 A:VAL385 3.9 33.5 1.0 CA A:GLY229 4.0 30.7 1.0 O A:SER231 4.2 40.4 1.0 C A:GLY229 4.2 38.2 1.0 CB A:ASN230 4.3 47.3 1.0 CD2 A:LEU389 4.3 35.8 1.0 CE A:LYS208 4.3 46.4 1.0 CA A:ASN230 4.3 47.5 1.0 CG A:LYS208 4.4 36.5 1.0 CB A:SER231 4.5 45.5 1.0 CD1 A:LEU389 4.5 43.0 1.0 C A:ASN230 4.6 49.9 1.0 CA A:SER231 4.6 49.1 1.0 CZ A:ARG391 4.7 36.6 1.0 CG A:LEU389 4.7 36.2 1.0 CD A:LYS208 4.8 45.3 1.0 NH2 A:ARG391 4.8 40.4 1.0 C A:SER231 4.9 44.7 1.0

Iodine binding site 5 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I918 b:111.6 occ:1.00 OE2 A:GLU847 3.5 48.3 1.0 N A:LEU788 3.5 45.9 1.0 CG A:GLU847 3.6 43.4 1.0 CG A:ARG843 3.8 50.6 1.0 CA A:PRO787 3.8 60.1 1.0 CD A:GLU847 3.8 60.9 1.0 CB A:PRO787 4.0 52.0 1.0 NE A:ARG843 4.1 50.8 1.0 C A:PRO787 4.2 55.3 1.0 CB A:ARG843 4.3 58.2 1.0 CD1 A:ILE848 4.3 47.7 1.0 O A:GLU847 4.4 32.6 1.0 CD1 A:LEU851 4.4 42.4 1.0 CD A:ARG843 4.4 53.6 1.0 CB A:LEU788 4.5 31.5 1.0 CA A:LEU788 4.5 42.0 1.0 CB A:LEU851 4.5 41.5 1.0 O A:LEU788 4.6 40.2 1.0 CD2 A:LEU851 4.6 41.2 1.0 CG A:LEU788 4.7 35.6 1.0 CB A:GLU847 4.7 48.4 1.0 CG A:LEU851 4.7 38.9 1.0 C A:GLU847 4.7 39.0 1.0 OE1 A:GLU847 4.8 68.5 1.0

Iodine binding site 6 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I919 b:222.8 occ:1.00 CB A:ALA454 3.7 46.5 1.0 ND1 A:HIS452 4.1 53.3 1.0 CG2 A:THR369 4.2 43.6 1.0 O A:HOH1088 4.2 49.7 1.0 O A:VAL453 4.3 29.0 1.0 CB A:HIS452 4.3 38.0 1.0 CG A:HIS452 4.4 42.7 1.0 CA A:ALA454 4.6 46.8 1.0 C A:VAL453 4.7 39.6 1.0 CE1 A:HIS452 4.8 54.6 1.0 CG2 A:VAL460 4.9 72.9 1.0 N A:ALA454 4.9 50.8 1.0 N A:GLY387 4.9 44.9 1.0 OG1 A:THR369 4.9 48.2 1.0 CA A:GLY387 5.0 35.2 1.0

Iodine binding site 7 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I920 b:269.7 occ:1.00 OD1 A:ASN250 3.3 57.3 0.4 CE1 A:HIS251 3.5 58.4 1.0 NE2 A:HIS251 3.6 53.9 1.0 CB A:ARG252 3.8 48.3 1.0 ND2 A:ASN250 3.9 55.7 0.4 CG A:ASN250 4.0 54.9 0.4 CG A:ARG252 4.1 44.0 1.0 ND1 A:HIS251 4.2 52.9 1.0 CD A:ARG252 4.2 39.3 1.0 CD2 A:HIS251 4.3 50.5 1.0 N A:ARG252 4.4 46.8 1.0 CA A:ARG252 4.6 41.9 1.0 CG A:HIS251 4.6 44.5 1.0

Iodine binding site 8 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I921 b:190.1 occ:1.00 OD1 A:ASP782 3.5 73.2 1.0 CG A:ASP782 3.7 74.2 1.0 N A:ALA781 3.8 59.1 1.0 CA A:SER636 3.8 38.1 1.0 CB A:PRO780 3.8 52.5 1.0 CB A:SER636 3.8 43.3 1.0 N A:ASP782 4.0 49.8 1.0 OD2 A:ASP782 4.0 77.8 1.0 CA A:GLY729 4.2 38.0 1.0 O A:ASN728 4.3 41.3 1.0 CB A:ALA781 4.3 37.6 1.0 O A:ILE635 4.4 43.5 1.0 CB A:ASP782 4.4 54.0 1.0 CA A:ALA781 4.5 48.0 1.0 C A:PRO780 4.5 58.5 1.0 CA A:PRO780 4.5 51.2 1.0 N A:SER636 4.6 39.8 1.0 CG2 A:THR634 4.6 41.5 1.0 C A:ALA781 4.7 44.6 1.0 N A:LYS637 4.8 38.6 1.0 C A:ILE635 4.8 42.1 1.0 C A:SER636 4.8 37.7 1.0 CA A:ASP782 4.8 60.3 1.0 CG A:PRO780 5.0 55.7 1.0 C A:ASN728 5.0 45.5 1.0

Iodine binding site 9 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I922 b:101.0 occ:1.00 O A:HOH1130 3.2 38.4 1.0 N A:GLU749 3.5 66.1 1.0 CG A:GLU749 3.6 77.4 1.0 CA A:THR748 4.0 46.7 1.0 CB A:THR748 4.0 47.7 1.0 CD A:GLU749 4.1 95.5 1.0 NH1 A:ARG746 4.2 42.7 1.0 C A:THR748 4.2 56.1 1.0 CB A:GLU749 4.3 74.2 1.0 OE2 A:GLU749 4.3 99.3 1.0 CA A:GLU749 4.5 67.0 1.0 CG2 A:THR748 4.5 59.7 1.0 CZ A:PHE625 4.7 67.8 1.0 OE1 A:GLU749 4.8 101.0 1.0 NH2 A:ARG746 4.8 43.9 1.0 O A:ARG606 5.0 69.8 1.0

Iodine binding site 10 out of 15 in the Ssx Structure of Autotaxin at Room Temperature


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Ssx Structure of Autotaxin at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:I923 b:182.8 occ:1.00 OG A:SER846 3.4 52.5 1.0 CD A:PRO541 3.8 65.0 1.0 CG A:ARG540 4.2 84.7 1.0 CG A:PRO541 4.4 46.3 1.0 CB A:SER846 4.5 45.0 1.0 NH1 A:ARG540 4.5 75.0 1.0 CA A:ARG540 4.7 58.2 1.0 N A:PRO541 4.7 58.2 1.0 ND2 A:ASN531 4.9 53.6 1.0 O A:PHE539 4.9 61.6 1.0 N A:SER846 4.9 47.5 1.0

N.Foos, J.B.Florial, M.Eymery, J.Sinoir, F.Felisaz, M.Oscarsson, A.Beteva, M.W.Bowler, D.Nurizzo, G.Papp, M.Soler-Lopez, M.Nanao, S.Basu, A.A.Mccarthy. In Situ Serial Crystallography Facilitates 96-Well Plate Structural Analysis at Low Symmetry. Iucrj 2024.
ISSN: ESSN 2052-2525
PubMed: 39008358
DOI: 10.1107/S2052252524005785