Atomistry » Magnesium » PDB 5mdn-5mpq » 5mhp
Atomistry »
  Magnesium »
    PDB 5mdn-5mpq »
      5mhp »

Magnesium in PDB 5mhp: 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: 5mhp was solved by D.Fleury, I.Mueller, M.Lamers, 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) 75.87 / 2.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.230, 79.530, 79.740, 90.00, 100.78, 90.00
R / Rfree (%) 20.7 / 24.5

Other elements in 5mhp:

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
Zinc (Zn) 2 atoms
Iodine (I) 1 atom
Calcium (Ca) 1 atom
Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity (pdb code 5mhp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5mhp:

Magnesium binding site 1 out of 1 in 5mhp

Go back to Magnesium Binding Sites List in 5mhp
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg912

b:49.1
occ:1.00
O A:TYR670 2.3 52.5 1.0
O A:MET676 2.3 45.1 1.0
O A:HOH1142 2.3 50.4 1.0
O A:ASP673 2.4 50.3 1.0
O A:HOH1144 2.7 48.1 1.0
O A:HOH1108 2.8 43.0 1.0
C A:TYR670 3.4 50.7 1.0
C A:MET676 3.5 43.5 1.0
C A:ASP673 3.6 51.3 1.0
CA A:TYR670 4.3 49.5 1.0
N A:SER677 4.3 40.6 1.0
N A:LYS671 4.3 50.8 1.0
O A:LYS671 4.4 51.4 1.0
N A:MET676 4.4 45.4 1.0
CA A:SER677 4.4 38.7 1.0
CA A:LYS671 4.4 51.7 1.0
CA A:MET676 4.5 43.6 1.0
O A:LYS674 4.5 50.7 1.0
C A:LYS671 4.5 52.1 1.0
N A:LYS674 4.5 52.0 1.0
CA A:ASP673 4.6 51.0 1.0
C A:LYS674 4.6 49.7 1.0
CA A:LYS674 4.6 51.8 1.0
N A:ASP673 4.7 53.9 1.0
CB A:TYR670 4.7 48.8 1.0
CB A:ASP673 4.7 50.8 1.0
CB A:SER677 5.0 38.0 1.0

Reference:

N.Desroy, C.Housseman, X.Bock, A.Joncour, N.Bienvenu, L.Cherel, V.Labeguere, E.Rondet, C.Peixoto, J.M.Grassot, O.Picolet, D.Annoot, N.Triballeau, A.Monjardet, E.Wakselman, V.Roncoroni, S.Le Tallec, R.Blanque, C.Cottereaux, N.Vandervoort, T.Christophe, P.Mollat, M.Lamers, M.Auberval, B.Hrvacic, J.Ralic, L.Oste, E.Van Der Aar, R.Brys, B.Heckmann. Discovery of 2-[[2-Ethyl-6-[4-[2-(3-Hydroxyazetidin-1-Yl) -2-Oxoethyl]Piperazin-1-Yl]-8-Methylimidazo[1, 2-A]Pyridin-3-Yl]Methylamino]-4-(4-Fluorophenyl) Thiazole-5-Carbonitrile (GLPG1690), A First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation For the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem. V. 60 3580 2017.
ISSN: ISSN 1520-4804
PubMed: 28414242
DOI: 10.1021/ACS.JMEDCHEM.7B00032
Page generated: Mon Dec 14 20:51:41 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy