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Zinc in PDB 5m7m: Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Enzymatic activity of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
All present enzymatic activity of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity:
3.1.4.39;
3.1.4.39;
Protein crystallography data
The structure of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5m7m
was solved by
A.Wolhkoning,
D.Fleury,
P.Leonard,
N.Triballeau,
P.Mollat,
L.Vercheval,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 78.53 / 2.70 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 77.450, 78.890, 78.570, 90.00, 91.87, 90.00 |
| R / Rfree (%) | 22.9 / 28.4 |
Other elements in 5m7m:
The structure of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
| Nickel | (Ni) | 7 atoms |
| Potassium | (K) | 1 atom |
| Iodine | (I) | 1 atom |
| Chlorine | (Cl) | 2 atoms |
Zinc Binding Sites:
The binding sites of Zinc atom in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
(pdb code 5m7m). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5m7m:
Jump to Zinc binding site number: 1; 2; 3; 4;
In total 4 binding sites of Zinc where determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5m7m:
Jump to Zinc binding site number: 1; 2; 3; 4;
Zinc binding site 1 out of 4 in 5m7m
Go back to
Zinc Binding Sites List in 5m7m
Zinc binding site 1 out
of 4 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
|
Zinc binding site 2 out of 4 in 5m7m
Go back to
Zinc Binding Sites List in 5m7m
Zinc binding site 2 out
of 4 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
|
Zinc binding site 3 out of 4 in 5m7m
Go back to
Zinc Binding Sites List in 5m7m
Zinc binding site 3 out
of 4 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
|
Zinc binding site 4 out of 4 in 5m7m
Go back to
Zinc Binding Sites List in 5m7m
Zinc binding site 4 out
of 4 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
|
Reference:
A.Joncour,
N.Desroy,
C.Housseman,
X.Bock,
N.Bienvenu,
L.Cherel,
V.Labeguere,
C.Peixoto,
D.Annoot,
L.Lepissier,
J.Heiermann,
W.J.Hengeveld,
G.Pilzak,
A.Monjardet,
E.Wakselman,
V.Roncoroni,
S.Le Tallec,
R.Galien,
C.David,
N.Vandervoort,
T.Christophe,
K.Conrath,
M.Jans,
A.Wohlkonig,
S.Soror,
J.Steyaert,
R.Touitou,
D.Fleury,
L.Vercheval,
P.Mollat,
N.Triballeau,
E.Van Der Aar,
R.Brys,
B.Heckmann.
Discovery, Structure-Activity Relationship, and Binding Mode of An Imidazo[1,2-A]Pyridine Series of Autotaxin Inhibitors. J. Med. Chem. V. 60 7371 2017.
ISSN: ISSN 1520-4804
PubMed: 28731719
DOI: 10.1021/ACS.JMEDCHEM.7B00647
Page generated: Sun Oct 27 21:52:09 2024
ISSN: ISSN 1520-4804
PubMed: 28731719
DOI: 10.1021/ACS.JMEDCHEM.7B00647
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