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Magnesium in PDB 5obr: Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621
Enzymatic activity of Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621
All present enzymatic activity of Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621, PDB code: 5obr
was solved by
M.Rossmann,
M.Janecek,
M.Hyvonen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 41.85 / 2.62 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 83.700, 83.700, 169.700, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 22.3 / 29.2 |
Other elements in 5obr:
The structure of Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621 also contains other interesting chemical elements:
| Fluorine | (F) | 3 atoms |
| Chlorine | (Cl) | 1 atom |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621
(pdb code 5obr). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621, PDB code: 5obr:
In total only one binding site of Magnesium was determined in the Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621, PDB code: 5obr:
Magnesium binding site 1 out of 1 in 5obr
Go back to
Magnesium Binding Sites List in 5obr
Magnesium binding site 1 out
of 1 in the Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Aurora A Kinase in Complex with 2-(3-Chloro-5-Fluorophenyl)Quinoline- 4-Carboxylic Acid and Jnj-7706621 within 5.0Å range:
|
Reference:
D.J.Cole,
M.Janecek,
J.E.Stokes,
M.Rossmann,
J.C.Faver,
G.J.Mckenzie,
A.R.Venkitaraman,
M.Hyvonen,
D.R.Spring,
D.J.Huggins,
W.L.Jorgensen.
Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A Kinase-TPX2 Protein-Protein Interaction. Chem. Commun. (Camb.) V. 53 9372 2017.
ISSN: ESSN 1364-548X
PubMed: 28787041
DOI: 10.1039/C7CC05379G
Page generated: Mon Sep 30 00:14:44 2024
ISSN: ESSN 1364-548X
PubMed: 28787041
DOI: 10.1039/C7CC05379G
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