Atomistry » Potassium » PDB 7g3l-7g6f » 7g5z
Atomistry »
  Potassium »
    PDB 7g3l-7g6f »
      7g5z »

Potassium in PDB 7g5z: Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm, PDB code: 7g5z 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) 72.63 / 1.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.67, 91.463, 119.489, 90, 90, 90
R / Rfree (%) 17.4 / 19.9

Other elements in 7g5z:

The structure of Crystal Structure of Rat Autotaxin in Complex with N-(5-Chloro-2,3- Dihydro-1H-Inden-2-Yl)-6-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 1 atom
Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm (pdb code 7g5z). 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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm, PDB code: 7g5z:

Potassium binding site 1 out of 1 in 7g5z

Go back to Potassium Binding Sites List in 7g5z
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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 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-(5-Methylpyrimidin-2-Yl)-5,7- Dihydropyrrolo[3,4-D]Pyrimidin-2-Amine, I.E. Smiles CLC1CC2C(CC1) C[C@@H](C2)NC1NCC2CN(CC2N1)C1NCC(CN1)C with IC50=0.0693825 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1010

b:17.3
occ:1.00
 O A:TYR669 2.3 18.1 1.0
O A:MET675 2.3 15.5 1.0
O A:ASP672 2.4 17.1 1.0
O A:HOH1427 2.4 21.2 1.0
O A:HOH1656 2.6 23.1 1.0
O A:HOH1658 2.6 27.1 1.0
C A:MET675 3.4 15.3 1.0
C A:TYR669 3.5 19.6 1.0
C A:ASP672 3.5 17.5 1.0
N A:MET675 4.1 17.1 1.0
CA A:TYR669 4.2 16.1 1.0
N A:SER676 4.2 14.4 1.0
O A:LYS670 4.3 22.6 1.0
O A:HOH1159 4.3 29.5 1.0
CA A:LYS673 4.4 19.1 1.0
CA A:MET675 4.4 15.1 1.0
CA A:SER676 4.4 13.7 1.0
N A:LYS673 4.4 17.2 1.0
CA A:ASP672 4.4 17.6 1.0
C A:LYS673 4.4 20.0 1.0
O A:HOH1709 4.4 34.5 1.0
N A:LYS670 4.5 19.7 1.0
N A:ASP672 4.5 18.3 1.0
CB A:ASP672 4.6 16.3 1.0
C A:LYS670 4.6 19.6 1.0
CA A:LYS670 4.6 22.4 1.0
O A:LYS673 4.6 24.1 1.0
CB A:TYR669 4.7 16.1 1.0
N A:GLN674 4.8 18.5 1.0
C A:GLN674 4.9 19.7 1.0
CB A:SER676 5.0 14.2 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 20:03:47 2025

Last articles

Na in 7G3M
Na in 7G37
Na in 7G3E
Na in 7G3H
Na in 7G3L
Na in 7G34
Na in 7G3J
Na in 7G3K
Na in 7G39
Na in 7G3I
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy