Zinc in PDB 3nkq: Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa

All present enzymatic activity of Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa:
3.1.4.39;

The structure of Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa, PDB code: 3nkq was solved by H.Nishimasu, R.Ishitani, E.Mihara, J.Takagi, J.Aoki, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.89 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.522, 94.528, 75.577, 90.00, 94.81, 90.00
R / Rfree (%)	19 / 22.8

The structure of Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa also contains other interesting chemical elements:

Potassium	(K)	1 atom
Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa (pdb code 3nkq). 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 Mouse Autotaxin in Complex with 18:3-Lpa, PDB code: 3nkq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa


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 Mouse Autotaxin in Complex with 18:3-Lpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:19.5 occ:1.00 OD1 A:ASP171 1.9 15.8 1.0 OG1 A:THR209 2.0 16.6 1.0 NE2 A:HIS359 2.1 12.7 1.0 OD2 A:ASP358 2.1 15.1 1.0 CG A:ASP171 2.6 18.8 1.0 OD2 A:ASP171 2.7 21.9 1.0 CD2 A:HIS359 2.9 14.7 1.0 CG A:ASP358 3.0 15.4 1.0 CB A:THR209 3.1 18.5 1.0 CE1 A:HIS359 3.1 16.2 1.0 OD1 A:ASP358 3.2 14.6 1.0 CA A:THR209 3.5 13.3 1.0 CG2 A:THR209 3.5 17.2 1.0 OAA A:NKQ1006 3.8 25.1 1.0 N A:THR209 3.8 14.6 1.0 OAB A:NKQ1006 3.9 18.9 1.0 CB A:ASP171 4.0 13.8 1.0 OD1 A:ASP311 4.0 17.6 1.0 CG A:HIS359 4.1 12.1 1.0 N A:GLY172 4.1 14.1 1.0 ND1 A:HIS359 4.1 11.7 1.0 CA A:ASP171 4.3 15.2 1.0 CG A:ASP311 4.4 16.8 1.0 CE1 A:HIS474 4.4 16.6 1.0 CB A:ASP358 4.4 15.1 1.0 CAG A:NKQ1006 4.5 31.5 1.0 ZN A:ZN1002 4.5 16.4 1.0 C A:ASP171 4.5 15.5 1.0 PAC A:NKQ1006 4.6 27.0 1.0 C A:LYS208 4.6 13.9 1.0 NE2 A:HIS474 4.7 14.9 1.0 OBC A:NKQ1006 4.8 39.1 1.0 CB A:ASP311 4.8 18.7 1.0 C A:THR209 4.8 14.2 1.0 CA A:GLY172 4.9 14.5 1.0 OD2 A:ASP311 4.9 20.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mouse Autotaxin in Complex with 18:3-Lpa


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 Mouse Autotaxin in Complex with 18:3-Lpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:16.4 occ:1.00 OAA A:NKQ1006 2.0 25.1 1.0 NE2 A:HIS315 2.0 17.5 1.0 NE2 A:HIS474 2.1 14.9 1.0 OD1 A:ASP311 2.1 17.6 1.0 OD2 A:ASP311 2.5 20.6 1.0 CG A:ASP311 2.6 16.8 1.0 CE1 A:HIS315 3.0 18.5 1.0 CE1 A:HIS474 3.0 16.6 1.0 CD2 A:HIS315 3.0 16.9 1.0 CD2 A:HIS474 3.1 14.5 1.0 PAC A:NKQ1006 3.1 27.0 1.0 OAD A:NKQ1006 3.4 34.0 1.0 OAB A:NKQ1006 3.9 18.9 1.0 CE1 A:HIS359 4.1 16.2 1.0 ND1 A:HIS315 4.1 19.8 1.0 ND1 A:HIS474 4.1 16.8 1.0 OAF A:NKQ1006 4.1 29.6 1.0 CG A:HIS315 4.2 19.9 1.0 CB A:ASP311 4.2 18.7 1.0 CG A:HIS474 4.2 12.9 1.0 NE2 A:HIS359 4.3 12.7 1.0 OBC A:NKQ1006 4.4 39.1 1.0 CE A:MET361 4.4 15.3 1.0 OD1 A:ASP171 4.5 15.8 1.0 ZN A:ZN1001 4.5 19.5 1.0 O A:HOH1091 4.6 31.2 1.0 CAG A:NKQ1006 4.7 31.5 1.0 OG1 A:THR209 4.7 16.6 1.0 O A:ASP311 4.9 19.0 1.0 CA A:ASP311 5.0 18.6 1.0

H.Nishimasu, S.Okudaira, K.Hama, E.Mihara, N.Dohmae, A.Inoue, R.Ishitani, J.Takagi, J.Aoki, O.Nureki. Crystal Structure of Autotaxin and Insight Into Gpcr Activation By Lipid Mediators Nat.Struct.Mol.Biol. V. 18 205 2011.
ISSN: ISSN 1545-9993
PubMed: 21240269
DOI: 10.1038/NSMB.1998