Atomistry » Potassium » PDB 7g3l-7g6f » 7g60
Atomistry »
  Potassium »
    PDB 7g3l-7g6f »
      7g60 »

Potassium in PDB 7g60: Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm, PDB code: 7g60 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) 72.84 / 1.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.842, 91.66, 119.99, 90, 90, 90
R / Rfree (%) 16.3 / 18.8

Other elements in 7g60:

The structure of Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
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 (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm (pdb code 7g60). 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 (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm, PDB code: 7g60:

Potassium binding site 1 out of 1 in 7g60

Go back to Potassium Binding Sites List in 7g60
Potassium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 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 (2S)-6-Chloro-2- [(6-Methylsulfonyl-5,7-Dihydropyrrolo[3,4-D]Pyrimidin-2-Yl)Amino]-2, 3-Dihydro-1H-Indene-4-Carbonitrile, I.E. Smiles N(C1NC2C(CN1) Cn(S(=O)(=O)C)C2)[C@H]1CC2C(C1)C(Cc(C2)Cl)C#N with IC50=0.00218558 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1003

b:16.8
occ:1.00
 O A:MET675 2.3 17.0 1.0
O A:TYR669 2.3 18.1 1.0
O A:HOH1567 2.3 20.6 1.0
O A:ASP672 2.3 17.2 1.0
O A:HOH1799 2.4 22.5 1.0
O A:HOH1797 2.4 27.2 1.0
C A:MET675 3.4 15.3 1.0
C A:TYR669 3.5 16.6 1.0
C A:ASP672 3.6 17.6 1.0
N A:MET675 4.1 17.4 1.0
O A:HOH1950 4.2 35.7 1.0
N A:SER676 4.2 13.8 1.0
CA A:TYR669 4.2 16.2 1.0
O A:HOH1330 4.3 33.3 1.0
O A:LYS670 4.3 20.7 1.0
CA A:LYS673 4.3 20.6 1.0
CA A:MET675 4.4 15.8 1.0
CA A:SER676 4.4 13.9 1.0
N A:LYS673 4.4 17.6 1.0
C A:LYS673 4.4 19.6 1.0
N A:LYS670 4.4 16.7 1.0
CA A:ASP672 4.5 17.3 1.0
N A:ASP672 4.5 18.1 1.0
O A:HOH1884 4.6 36.5 1.0
CA A:LYS670 4.6 20.5 1.0
O A:HOH2009 4.6 40.2 1.0
C A:LYS670 4.6 19.1 1.0
CB A:ASP672 4.6 15.8 1.0
O A:LYS673 4.6 24.8 1.0
CB A:TYR669 4.6 15.6 1.0
N A:GLN674 4.8 18.1 1.0
CB A:SER676 4.9 15.3 1.0
C A:GLN674 5.0 18.7 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 20:03:46 2025

Last articles

K in 5YG9
K in 5YGG
K in 5YG8
K in 5YG7
K in 5YG6
K in 5YG5
K in 5YFW
K in 5YFV
K in 5YFU
K in 5YFT
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy