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Potassium 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:

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

Potassium Binding Sites:

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

Potassium binding site 1 out of 1 in 5m7m

Go back to Potassium Binding Sites List in 5m7m
Potassium 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 Potassium with other atoms in the K 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:K914

b:52.0
occ:1.00
ND2 A:ASN666 3.6 29.9 1.0
OD1 A:ASN666 3.7 27.9 1.0
CG A:ASN666 4.0 28.9 1.0
O3 A:PO4912 4.2 69.0 1.0
CB A:ALA669 4.3 26.9 1.0
CB A:SER760 4.4 26.4 1.0
O A:GLY759 4.4 31.1 1.0
CA A:SER760 4.6 26.3 1.0
N A:ALA669 4.7 29.5 1.0
CA A:ALA669 4.7 27.6 1.0
C A:GLY759 4.8 30.6 1.0
N A:SER760 4.9 28.4 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: Mon Aug 12 14:16:19 2024

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