Atomistry » Sodium » PDB 7g33-7g48 » 7g45
Atomistry »
  Sodium »
    PDB 7g33-7g48 »
      7g45 »

Sodium in PDB 7g45: Crystal Structure of Rat Autotaxin in Complex with 3-(4-Chloro-5- Methyl-2-Propan-2-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-(4-Chloro-5- Methyl-2-Propan-2-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-(4-Chloro-5- Methyl-2-Propan-2-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 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-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm, PDB code: 7g45 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) 48.78 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.998, 91.473, 119.855, 90, 90, 90
R / Rfree (%) 23.8 / 27.1

Other elements in 7g45:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-(4-Chloro-5- Methyl-2-Propan-2-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Zinc (Zn) 1 atom
Potassium (K) 1 atom
Calcium (Ca) 2 atoms

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-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm (pdb code 7g45). 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-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm, PDB code: 7g45:

Sodium binding site 1 out of 1 in 7g45

Go back to Sodium Binding Sites List in 7g45
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-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 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-Ylphenyl)-4-Methyl-1H-1,2,4-Triazol-5-One, I.E. Smiles C1C(C(Cc(C1C(C)C)C1=Nnc(=O)N1C)C)Cl with IC50=0.843581 Microm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na904

b:24.6
occ:1.00
 O A:HOH1457 2.2 21.1 1.0
OG A:SER807 2.3 21.6 1.0
O A:HOH1389 2.3 32.3 1.0
O A:SER804 2.3 21.9 1.0
O A:HOH1348 2.5 25.6 1.0
O A:ASN801 2.6 18.9 1.0
C A:ASN801 3.4 19.4 1.0
C A:SER804 3.4 22.8 1.0
CB A:SER807 3.4 23.2 1.0
CA A:ASP802 3.9 21.9 1.0
N A:ASP802 4.0 20.8 1.0
N A:SER807 4.0 25.6 1.0
CA A:CYS805 4.2 25.4 1.0
N A:CYS805 4.3 24.2 1.0
CA A:SER807 4.3 25.3 1.0
C A:ASP802 4.3 21.4 1.0
O A:HOH1174 4.3 31.8 1.0
C A:CYS805 4.3 26.7 1.0
O A:ASP802 4.4 21.7 1.0
N A:SER804 4.4 20.4 1.0
CA A:SER804 4.4 21.8 1.0
CB A:ASN801 4.4 19.8 1.0
O A:CYS805 4.4 25.3 1.0
CA A:ASN801 4.5 19.6 1.0
O A:HOH1106 4.5 34.1 1.0
CB A:SER804 4.8 22.4 1.0
OD1 A:ASP802 4.8 25.6 1.0
N A:ASN806 4.9 26.4 1.0
O A:HOH1229 4.9 25.4 1.0
C A:SER807 5.0 26.9 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 23:17:20 2025

Last articles

Na in 7G49
Na in 7G5K
Na in 7G5B
Na in 7G4W
Na in 7G56
Na in 7G4C
Na in 7G5S
Na in 7G5J
Na in 7G59
Na in 7G5A
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy