Atomistry » Zinc » PDB 5lku-5lrj » 5lqq
Atomistry »
  Zinc »
    PDB 5lku-5lrj »
      5lqq »

Zinc in PDB 5lqq: Structure of Autotaxin (ENPP2) with LM350

Enzymatic activity of Structure of Autotaxin (ENPP2) with LM350

All present enzymatic activity of Structure of Autotaxin (ENPP2) with LM350:
3.1.4.39;

Protein crystallography data

The structure of Structure of Autotaxin (ENPP2) with LM350, PDB code: 5lqq was solved by W.J.Keune, T.Heidebrecht, E.Castelmur, R.P.Joosten, A.Perrakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.00 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.655, 89.067, 77.509, 90.00, 102.88, 90.00
R / Rfree (%) 21.7 / 26.2

Other elements in 5lqq:

The structure of Structure of Autotaxin (ENPP2) with LM350 also contains other interesting chemical elements:

Iodine (I) 10 atoms
Calcium (Ca) 1 atom
Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Autotaxin (ENPP2) with LM350 (pdb code 5lqq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Autotaxin (ENPP2) with LM350, PDB code: 5lqq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5lqq

Go back to Zinc Binding Sites List in 5lqq
Zinc binding site 1 out of 2 in the Structure of Autotaxin (ENPP2) with LM350


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Autotaxin (ENPP2) with LM350 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn909

b:66.8
occ:1.00
OD2 A:ASP311 2.2 57.6 1.0
NE2 A:HIS474 2.3 47.5 1.0
NE2 A:HIS315 2.4 62.9 1.0
OD1 A:ASP311 2.7 57.1 1.0
CG A:ASP311 2.8 57.6 1.0
O A:HOH1073 2.8 53.7 1.0
CE1 A:HIS474 3.1 46.7 1.0
CE1 A:HIS315 3.2 63.3 1.0
CD2 A:HIS474 3.3 47.9 1.0
CD2 A:HIS315 3.6 63.8 1.0
CB A:ASP311 4.2 57.8 1.0
ND1 A:HIS474 4.3 46.5 1.0
OG1 A:THR209 4.4 44.2 1.0
ND1 A:HIS315 4.4 64.6 1.0
CG A:HIS474 4.4 47.2 1.0
CE1 A:HIS359 4.4 47.0 1.0
ZN A:ZN910 4.5 95.8 1.0
CG A:HIS315 4.6 64.8 1.0
NE2 A:HIS359 4.7 46.6 1.0
OD1 A:ASP171 4.9 52.0 1.0
CE A:MET361 4.9 52.5 1.0
OD2 A:ASP171 4.9 52.8 1.0

Zinc binding site 2 out of 2 in 5lqq

Go back to Zinc Binding Sites List in 5lqq
Zinc binding site 2 out of 2 in the Structure of Autotaxin (ENPP2) with LM350


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Autotaxin (ENPP2) with LM350 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn910

b:95.8
occ:1.00
OD1 A:ASP171 1.9 52.0 1.0
OG1 A:THR209 2.0 44.2 1.0
NE2 A:HIS359 2.5 46.6 1.0
OD2 A:ASP358 2.6 46.1 1.0
CG A:ASP171 2.7 51.6 1.0
CB A:THR209 2.8 43.4 1.0
OD2 A:ASP171 3.1 52.8 1.0
CE1 A:HIS359 3.1 47.0 1.0
CG2 A:THR209 3.1 43.2 1.0
CA A:THR209 3.2 42.8 1.0
CG A:ASP358 3.4 45.9 1.0
CD2 A:HIS359 3.5 46.0 1.0
OD1 A:ASP358 3.6 46.2 1.0
OD2 A:ASP311 3.7 57.6 1.0
N A:THR209 3.7 42.8 1.0
CB A:ASP171 4.0 50.9 1.0
ND1 A:HIS359 4.2 46.9 1.0
N A:GLY172 4.3 49.5 1.0
CG A:ASP311 4.3 57.6 1.0
CE1 A:HIS474 4.4 46.7 1.0
CA A:ASP171 4.4 50.0 1.0
CG A:HIS359 4.4 46.4 1.0
C A:LYS208 4.5 42.7 1.0
ZN A:ZN909 4.5 66.8 1.0
C A:THR209 4.6 42.4 1.0
NE2 A:HIS474 4.6 47.5 1.0
CB A:ASP358 4.7 45.3 1.0
C A:ASP171 4.7 50.2 1.0
OH A:TYR306 4.7 52.0 1.0
OD1 A:ASP311 4.8 57.1 1.0
O A:LYS208 5.0 42.4 1.0

Reference:

L.M.Miller, W.J.Keune, D.Castagna, L.C.Young, E.L.Duffy, F.Potjewyd, F.Salgado-Polo, P.Engel Garcia, D.Semaan, J.M.Pritchard, A.Perrakis, S.J.Macdonald, C.Jamieson, A.J.Watson. Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with A Discrete Binding Mode. J. Med. Chem. V. 60 722 2017.
ISSN: ISSN 1520-4804
PubMed: 27982588
DOI: 10.1021/ACS.JMEDCHEM.6B01597
Page generated: Wed Dec 16 06:30:29 2020

Last articles

Zn in 7M6U
Zn in 7NNG
Zn in 7NEE
Zn in 7NEU
Zn in 7M3K
Zn in 7KWD
Zn in 7KYH
Zn in 7KNG
Zn in 7KY2
Zn in 7KYF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy