Atomistry » Potassium » PDB 7fs1-7g3k » 7g2o
Atomistry »
  Potassium »
    PDB 7fs1-7g3k »
      7g2o »

Potassium in PDB 7g2o: Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm, PDB code: 7g2o was solved by M.Stihle, J.Benz, D.Hunziker, P.Mattei, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.27 / 2.06
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.125, 91.651, 120.236, 90, 90, 90
R / Rfree (%) 20.1 / 24.9

Other elements in 7g2o:

The structure of Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom
Sodium (Na) 1 atom
Calcium (Ca) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm (pdb code 7g2o). 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 Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm, PDB code: 7g2o:

Potassium binding site 1 out of 1 in 7g2o

Go back to Potassium Binding Sites List in 7g2o
Potassium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[5-(3-Hydroxy-5,7-Dihydro-4H-[1, 2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,4,6-Tetrahydropyrrolo[3,4- C]Pyrrol-2-Yl]Methanone, I.E. Smiles N1(C(=O)N2CC3=C(C2)Cn(C3)C(=O) C2CC(OCC3CCOCC3)Nc(C3CC3)C2)CC2=C(CC1)C(=NO2)O with IC50=0.00526079 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K902

b:47.1
occ:1.00
 O A:ASP672 2.4 38.6 1.0
O A:MET675 2.4 40.3 1.0
O A:TYR669 2.4 40.7 1.0
O A:HOH1211 2.4 47.0 1.0
O A:HOH1190 2.5 43.0 1.0
O A:HOH1291 2.7 44.8 1.0
C A:MET675 3.5 37.5 1.0
C A:TYR669 3.5 41.3 1.0
C A:ASP672 3.6 41.4 1.0
N A:SER676 4.2 33.6 1.0
CA A:SER676 4.2 32.3 1.0
N A:MET675 4.3 42.1 1.0
CA A:TYR669 4.3 40.3 1.0
O A:LYS670 4.4 42.1 1.0
CA A:LYS673 4.4 52.7 1.0
N A:LYS673 4.4 46.6 1.0
CA A:MET675 4.5 40.1 1.0
N A:LYS670 4.5 44.0 1.0
C A:LYS673 4.5 50.9 1.0
CA A:ASP672 4.6 41.8 1.0
O A:LYS673 4.6 44.0 1.0
CA A:LYS670 4.6 46.3 1.0
CB A:TYR669 4.6 39.2 1.0
C A:LYS670 4.7 44.6 1.0
CB A:SER676 4.7 31.5 1.0
N A:ASP672 4.8 50.1 1.0
CB A:ASP672 4.8 40.9 1.0

Reference:

D.Hunziker, S.C.Joachim, C.Ullmer, M.G.Rudolph. Crystal Structure of A Rat Autotaxin Complex To Be Published.
Page generated: Sat Feb 8 19:59:22 2025

Last articles

Na in 7G3V
Na in 7G3B
Na in 7G35
Na in 7G3C
Na in 7G3D
Na in 7G33
Na in 7G38
Na in 7G3A
Na in 7G3G
Na in 7G3F
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy