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Potassium in PDB 7g5j: Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm
Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm
All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm:
3.1.4.39;
3.1.4.39;
Protein crystallography data
The structure of Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm, PDB code: 7g5j
was solved by
M.Stihle,
J.Benz,
D.Hunziker,
Y.Kumagai,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.95 / 2.18 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 84.623, 91.903, 120.202, 90, 90, 90 |
| R / Rfree (%) | 20.6 / 26.7 |
Other elements in 7g5j:
The structure of Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
| Sodium | (Na) | 1 atom |
| Calcium | (Ca) | 1 atom |
| Bromine | (Br) | 1 atom |
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm
(pdb code 7g5j). 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 (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm, PDB code: 7g5j:
In total only one binding site of Potassium was determined in the Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm, PDB code: 7g5j:
Potassium binding site 1 out of 1 in 7g5j
Go back to
Potassium Binding Sites List in 7g5j
Potassium binding site 1 out
of 1 in the Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm
Mono view
Stereo pair view
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 (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm within 5.0Å range:
|
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
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