Atomistry » Potassium » PDB 7g6s-7jvu » 7g7x
Atomistry »
  Potassium »
    PDB 7g6s-7jvu »
      7g7x »

Potassium in PDB 7g7x: Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm, PDB code: 7g7x 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) 49.93 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.83, 91.74, 119.05, 90, 90, 90
R / Rfree (%) 17.3 / 20.1

Other elements in 7g7x:

The structure of Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Zinc (Zn) 1 atom
Sodium (Na) 1 atom
Calcium (Ca) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm (pdb code 7g7x). 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 N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm, PDB code: 7g7x:

Potassium binding site 1 out of 1 in 7g7x

Go back to Potassium Binding Sites List in 7g7x
Potassium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 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 N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K902

b:33.6
occ:1.00
 O A:MET675 2.3 22.1 1.0
O A:TYR669 2.3 25.1 1.0
O A:ASP672 2.4 25.9 1.0
O A:HOH1380 2.5 29.4 1.0
O A:HOH1493 2.7 37.8 1.0
O A:HOH1513 2.7 37.5 1.0
C A:MET675 3.4 20.6 1.0
C A:TYR669 3.5 26.0 1.0
C A:ASP672 3.6 25.5 1.0
N A:MET675 4.1 22.3 1.0
CA A:TYR669 4.2 21.8 1.0
N A:SER676 4.3 17.8 1.0
CA A:MET675 4.3 20.5 1.0
O A:LYS670 4.3 29.3 1.0
CA A:LYS673 4.4 27.0 1.0
CA A:SER676 4.4 19.0 1.0
O A:HOH1540 4.4 35.6 1.0
N A:LYS673 4.4 24.6 1.0
C A:LYS673 4.4 25.5 1.0
N A:ASP672 4.5 23.4 1.0
CA A:ASP672 4.5 23.9 1.0
N A:LYS670 4.5 24.4 1.0
CB A:TYR669 4.6 21.0 1.0
C A:LYS670 4.6 27.0 1.0
CB A:ASP672 4.6 22.8 1.0
O A:LYS673 4.6 27.6 1.0
CA A:LYS670 4.6 29.7 1.0
N A:GLN674 4.8 23.5 1.0
CB A:MET675 4.9 20.8 1.0
CB A:SER676 5.0 20.0 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 13:25:36 2025

Last articles

Mg in 5O5J
Mg in 5NRG
Mg in 5O5W
Mg in 5O4V
Mg in 5O4C
Mg in 5O48
Mg in 5O44
Mg in 5O2S
Mg in 5O3W
Mg in 5O3V
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy