Atomistry » Fluorine » PDB 5lz5-5msa » 5m7m
Atomistry »
  Fluorine »
    PDB 5lz5-5msa »
      5m7m »

Fluorine 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;

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:

Nickel (Ni) 7 atoms
Potassium (K) 1 atom
Zinc (Zn) 4 atoms
Iodine (I) 1 atom
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5m7m:

Fluorine binding site 1 out of 1 in 5m7m

Go back to Fluorine Binding Sites List in 5m7m
Fluorine binding site 1 out of 1 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F907

b:31.9
occ:1.00
F23 A:7HR907 0.0 31.9 1.0
C22 A:7HR907 1.3 30.6 1.0
C24 A:7HR907 2.4 30.2 1.0
C21 A:7HR907 2.4 29.5 1.0
CD2 A:LEU217 3.2 15.0 1.0
CG2 A:ILE168 3.3 18.6 1.0
CD1 A:ILE168 3.6 18.2 1.0
C25 A:7HR907 3.6 29.3 1.0
C20 A:7HR907 3.6 28.5 1.0
CG A:LEU217 3.8 14.5 1.0
C19 A:7HR907 4.1 28.6 1.0
CE2 A:PHE274 4.1 32.4 1.0
CB A:ILE168 4.1 18.6 1.0
CG1 A:ILE168 4.4 18.5 1.0
CD2 A:PHE274 4.6 32.3 1.0
CB A:LEU217 4.7 13.5 1.0
SD A:MET513 4.7 21.0 1.0
CE A:MET513 4.7 21.1 1.0
O A:LEU217 4.9 13.2 1.0
CD1 A:LEU217 4.9 15.0 1.0
C A:LEU217 4.9 12.7 1.0

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: Thu Aug 1 11:37:58 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy