Atomistry » Sodium » PDB 7g33-7g48 » 7g39
Atomistry »
  Sodium »
    PDB 7g33-7g48 »
      7g39 »

Sodium in PDB 7g39: Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm, PDB code: 7g39 was solved by M.Stihle, J.Benz, D.Hunziker, H.Richter, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.14 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.545, 92.279, 120.815, 90, 90, 90
R / Rfree (%) 19.3 / 23.2

Other elements in 7g39:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 1 atom
Potassium (K) 1 atom
Calcium (Ca) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm (pdb code 7g39). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm, PDB code: 7g39:

Sodium binding site 1 out of 1 in 7g39

Go back to Sodium Binding Sites List in 7g39
Sodium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Rat Autotaxin in Complex with 3-[(4-Chloro-5- Methyl-2-Propan-2-Ylphenoxy)Methyl]-1H-Indazole, I.E. Smiles C(C1=NNC2C1CCCC2)OC1CC(C(CC1C(C)C)Cl)C with IC50=0.065046 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na904

b:38.5
occ:1.00
 OG A:SER807 2.2 30.1 1.0
O A:SER804 2.3 28.9 1.0
O A:HOH1361 2.3 35.6 1.0
O A:HOH1200 2.4 31.8 1.0
O A:HOH1072 2.5 33.5 1.0
O A:ASN801 2.6 24.8 1.0
CB A:SER807 3.4 27.7 1.0
C A:SER804 3.4 27.8 1.0
C A:ASN801 3.4 24.0 1.0
CA A:ASP802 3.9 27.4 1.0
N A:ASP802 4.0 25.0 1.0
N A:SER807 4.1 29.9 1.0
CA A:CYS805 4.2 29.0 1.0
O A:ASP802 4.2 26.3 1.0
N A:CYS805 4.2 28.7 1.0
C A:ASP802 4.3 28.2 1.0
CA A:SER807 4.3 31.8 1.0
O A:HOH1133 4.3 37.8 1.0
C A:CYS805 4.3 29.2 1.0
N A:SER804 4.4 25.9 1.0
CB A:ASN801 4.4 24.4 1.0
CA A:SER804 4.4 26.1 1.0
O A:CYS805 4.4 29.0 1.0
O A:HOH1052 4.4 33.5 1.0
CA A:ASN801 4.5 26.7 1.0
OD1 A:ASP802 4.7 34.8 1.0
CB A:SER804 4.8 27.6 1.0
O A:HOH1141 4.9 30.1 1.0
N A:ASN806 4.9 30.1 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 23:12:39 2025

Last articles

I in 5R47
I in 5R48
I in 5R46
I in 5R45
I in 5R43
I in 5R44
I in 5R42
I in 5QHL
I in 5QHK
I in 5QHJ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy