Zinc in PDB 2xr9: Crystal Structure of Autotaxin (ENPP2)

All present enzymatic activity of Crystal Structure of Autotaxin (ENPP2):
3.1.4.39;

The structure of Crystal Structure of Autotaxin (ENPP2), PDB code: 2xr9 was solved by S.Kamtekar, J.Hausmann, J.E.Day, E.Christodoulou, A.Perrakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.808, 63.289, 70.471, 98.78, 106.22, 99.77
R / Rfree (%)	17.3 / 22.1

The structure of Crystal Structure of Autotaxin (ENPP2) also contains other interesting chemical elements:

Iodine	(I)	28 atoms
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Autotaxin (ENPP2) (pdb code 2xr9). 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 (ENPP2), PDB code: 2xr9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Autotaxin (ENPP2)


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 (ENPP2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1867 b:33.3 occ:1.00 O2 A:PO41870 1.8 30.2 1.0 NE2 A:HIS315 2.1 18.7 1.0 NE2 A:HIS474 2.1 18.3 1.0 OD2 A:ASP311 2.1 18.2 1.0 OD1 A:ASP311 2.7 24.1 1.0 CG A:ASP311 2.7 22.3 1.0 CE1 A:HIS315 2.9 20.4 1.0 CD2 A:HIS474 3.0 20.9 1.0 P A:PO41870 3.0 36.0 1.0 CE1 A:HIS474 3.1 18.1 1.0 CD2 A:HIS315 3.1 20.2 1.0 O3 A:PO41870 3.2 37.7 1.0 O4 A:PO41870 3.9 30.8 1.0 ND1 A:HIS315 4.1 22.9 1.0 CE1 A:HIS359 4.1 20.3 1.0 O1 A:PO41870 4.1 37.1 1.0 CG A:HIS474 4.2 19.5 1.0 CG A:HIS315 4.2 23.9 1.0 ND1 A:HIS474 4.2 18.9 1.0 CB A:ASP311 4.2 24.4 1.0 ZN A:ZN1868 4.2 44.9 1.0 NE2 A:HIS359 4.3 18.0 1.0 CE A:MET361 4.6 21.2 1.0 OD1 A:ASP171 4.6 27.3 1.0 O A:ASP311 4.9 25.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Autotaxin (ENPP2)


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 (ENPP2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1868 b:44.9 occ:1.00 OG1 A:THR209 1.6 27.3 1.0 OD1 A:ASP171 1.9 27.3 1.0 NE2 A:HIS359 2.2 18.0 1.0 O3 A:PO41870 2.3 37.7 1.0 CG A:ASP171 2.6 25.7 1.0 OD2 A:ASP358 2.7 29.9 1.0 OD2 A:ASP171 2.7 29.2 1.0 CB A:THR209 2.8 24.8 1.0 CD2 A:HIS359 3.1 19.3 1.0 CE1 A:HIS359 3.2 20.3 1.0 CG A:ASP358 3.5 25.1 1.0 OD1 A:ASP358 3.5 26.8 1.0 P A:PO41870 3.6 36.0 1.0 CA A:THR209 3.7 22.1 1.0 OD2 A:ASP311 3.7 18.2 1.0 O4 A:PO41870 3.7 30.8 1.0 CG2 A:THR209 3.8 23.8 1.0 N A:THR209 3.9 21.3 1.0 CB A:ASP171 4.0 24.7 1.0 CG A:ASP311 4.0 22.3 1.0 N A:GLY172 4.2 24.0 1.0 CE1 A:HIS474 4.2 18.1 1.0 CG A:HIS359 4.2 20.2 1.0 ND1 A:HIS359 4.2 21.4 1.0 ZN A:ZN1867 4.2 33.3 1.0 O2 A:PO41870 4.3 30.2 1.0 NE2 A:HIS474 4.4 18.3 1.0 CA A:ASP171 4.4 24.2 1.0 CB A:ASP311 4.6 24.4 1.0 OD1 A:ASP311 4.6 24.1 1.0 C A:ASP171 4.6 24.4 1.0 O1 A:PO41870 4.9 37.1 1.0 C A:LYS208 4.9 19.7 1.0 CB A:ASP358 4.9 22.9 1.0 CA A:GLY172 4.9 24.8 1.0

J.Hausmann, S.Kamtekar, E.Christodoulou, J.E.Day, T.Wu, Z.Fulkerson, H.M.Albers, L.A.Van Meeteren, A.J.Houben, L.Van Zeijl, S.Jansen, M.Andries, T.Hall, L.E.Pegg, T.E.Benson, M.Kasiem, K.Harlos, C.W.Kooi, S.S.Smyth, H.Ovaa, M.Bollen, A.J.Morris, W.H.Moolenaar, A.Perrakis. Structural Basis of Substrate Discrimination and Integrin Binding By Autotaxin. Nat. Struct. Mol. Biol. V. 18 198 2011.
ISSN: ESSN 1545-9985
PubMed: 21240271
DOI: 10.1038/NSMB.1980