Atomistry » Chlorine » PDB 5o5t-5oeh » 5obr
Atomistry »
  Chlorine »
    PDB 5o5t-5oeh »
      5obr »

Chlorine 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;

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
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 5obr

Go back to Chlorine Binding Sites List in 5obr
Chlorine 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

A full contact list of Chlorine with other atoms in the Cl 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:
probe atom residue distance (Å) B Occ
A:Cl401

b:65.3
occ:1.00
 CL A:9QT401 0.0 65.3 1.0
C8 A:9QT401 1.7 62.8 1.0
C7 A:9QT401 2.7 62.9 1.0
C9 A:9QT401 2.7 57.9 1.0
CG A:LEU178 3.5 58.6 1.0
CG2 A:VAL182 3.6 62.5 1.0
CA A:ARG179 3.8 64.6 1.0
CD2 A:LEU178 3.8 52.2 1.0
CG A:ARG179 3.9 59.7 1.0
N A:ARG179 3.9 65.0 1.0
O A:LEU178 3.9 64.1 1.0
C6 A:9QT401 3.9 65.3 1.0
C A:LEU178 4.0 65.6 1.0
C4 A:9QT401 4.0 58.3 1.0
CB A:VAL182 4.1 65.4 1.0
CB A:ARG179 4.4 61.3 1.0
CD1 A:LEU178 4.4 51.1 1.0
CB A:LEU178 4.5 63.8 1.0
CG1 A:VAL182 4.5 64.5 1.0
C5 A:9QT401 4.5 61.5 1.0
CG1 A:VAL206 4.6 59.8 1.0
CA A:LEU178 4.9 65.5 1.0
C A:ARG179 4.9 64.9 1.0

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: Fri Jul 26 14:22:36 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy