Atomistry » Potassium » PDB 7g6s-7jvu » 7g7r
Atomistry »
  Potassium »
    PDB 7g6s-7jvu »
      7g7r »

Potassium in PDB 7g7r: Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm, PDB code: 7g7r was solved by M.Stihle, J.Benz, D.Hunziker, A.Pfiffner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.88 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.366, 91.833, 119.942, 90, 90, 90
R / Rfree (%) 18.7 / 24.2

Other elements in 7g7r:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm also contains other interesting chemical elements:

Sodium (Na) 1 atom
Calcium (Ca) 1 atom
Zinc (Zn) 1 atom
Chlorine (Cl) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm (pdb code 7g7r). 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 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm, PDB code: 7g7r:

Potassium binding site 1 out of 1 in 7g7r

Go back to Potassium Binding Sites List in 7g7r
Potassium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 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 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K904

b:40.1
occ:1.00
 O A:ASP672 2.4 38.2 1.0
O A:HOH1232 2.4 35.5 1.0
O A:MET675 2.4 36.6 1.0
O A:TYR669 2.4 35.5 1.0
O A:HOH1246 2.4 43.1 1.0
O A:HOH1314 2.7 45.8 1.0
C A:MET675 3.5 34.7 1.0
C A:TYR669 3.6 37.0 1.0
C A:ASP672 3.6 37.4 1.0
N A:MET675 4.3 37.7 1.0
N A:SER676 4.3 31.4 1.0
CA A:SER676 4.3 31.6 1.0
CA A:TYR669 4.3 31.6 1.0
CA A:LYS673 4.4 41.3 1.0
O A:LYS670 4.4 42.9 1.0
N A:LYS673 4.4 38.9 1.0
C A:LYS673 4.5 38.3 1.0
CA A:MET675 4.5 33.5 1.0
O A:LYS673 4.5 39.7 1.0
CA A:ASP672 4.5 35.9 1.0
N A:LYS670 4.5 39.0 1.0
N A:ASP672 4.6 41.5 1.0
CB A:TYR669 4.6 30.1 1.0
CA A:LYS670 4.6 42.1 1.0
C A:LYS670 4.7 41.0 1.0
CB A:ASP672 4.8 37.4 1.0
CB A:SER676 4.8 31.8 1.0
N A:GLN674 5.0 41.4 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 Aug 9 13:25:23 2025

Last articles

Br in 9R0Q
Br in 9J73
Br in 9BJ5
Br in 8Y72
Au in 9D33
As in 9O9I
Al in 9GSG
Zr in 1XC1
Zr in 6Y7P
Zr in 6GNL
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy