Atomistry » Potassium » PDB 7g3l-7g6f » 7g3y
Atomistry »
  Potassium »
    PDB 7g3l-7g6f »
      7g3y »

Potassium in PDB 7g3y: Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm, PDB code: 7g3y was solved by M.Stihle, J.Benz, D.Hunziker, E.Pinard, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.47 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.577, 91.265, 119.204, 90, 90, 90
R / Rfree (%) 16.6 / 20.7

Other elements in 7g3y:

The structure of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm also contains other interesting chemical elements:

Chlorine (Cl) 2 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-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm (pdb code 7g3y). 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-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm, PDB code: 7g3y:

Potassium binding site 1 out of 1 in 7g3y

Go back to Potassium Binding Sites List in 7g3y
Potassium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 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-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(Oxetan-3-Ylsulfonyl)-5,7-Dihydropyrrolo[3, 4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1)C[C@@H](C2) NC1NCC2CN(CC2N1)S(=O)(=O)C1COC1 with IC50=0.0214337 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1012

b:22.0
occ:1.00
 O A:MET675 2.3 18.1 1.0
O A:TYR669 2.3 20.7 1.0
O A:ASP672 2.4 20.9 1.0
O A:HOH1430 2.5 21.3 1.0
O A:HOH1633 2.5 24.5 1.0
O A:HOH1636 2.5 29.0 1.0
C A:MET675 3.4 18.1 1.0
C A:TYR669 3.4 22.4 1.0
C A:ASP672 3.5 21.2 1.0
N A:MET675 4.1 21.1 1.0
CA A:TYR669 4.2 18.8 1.0
N A:SER676 4.2 17.0 1.0
O A:HOH1688 4.3 35.1 1.0
O A:LYS670 4.3 25.6 1.0
CA A:MET675 4.4 18.2 1.0
CA A:SER676 4.4 16.4 1.0
CA A:LYS673 4.4 23.9 1.0
N A:LYS673 4.4 21.4 1.0
N A:LYS670 4.4 20.9 1.0
CA A:ASP672 4.4 21.7 1.0
O A:HOH1223 4.4 30.4 1.0
C A:LYS673 4.5 24.0 1.0
N A:ASP672 4.5 20.4 1.0
CA A:LYS670 4.5 25.1 1.0
CB A:ASP672 4.6 19.7 1.0
C A:LYS670 4.6 21.2 1.0
CB A:TYR669 4.6 19.3 1.0
O A:LYS673 4.7 27.8 1.0
N A:GLN674 4.8 19.7 1.0
C A:GLN674 4.9 24.7 1.0
CB A:SER676 4.9 15.2 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 20:01:32 2025

Last articles

Mg in 9G0R
Mg in 9G0T
Mg in 9G0O
Mg in 9G0Q
Mg in 9G0S
Mg in 9FVJ
Mg in 9G0P
Mg in 9G2T
Mg in 9G2X
Mg in 9G2Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy