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Chlorine in PDB 5dr9: Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122

Enzymatic activity of Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122

All present enzymatic activity of Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122:
2.7.11.1;

Protein crystallography data

The structure of Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122, PDB code: 5dr9 was solved by M.Janecek, M.Rossmann, P.Sharma, A.Emery, G.J.Mckenzie, D.J.Huggins, S.Stockwell, J.A.Stokes, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, A.R.Venkitaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.25 / 2.47
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 83.425, 83.425, 167.246, 90.00, 90.00, 120.00
R / Rfree (%) 22.5 / 26.2

Other elements in 5dr9:

The structure of Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122 (pdb code 5dr9). 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 AA29 and Jnj-7706621 in Space Group P6122, PDB code: 5dr9:

Chlorine binding site 1 out of 1 in 5dr9

Go back to Chlorine Binding Sites List in 5dr9
Chlorine binding site 1 out of 1 in the Aurora A Kinase in Complex with AA29 and Jnj-7706621 in Space Group P6122


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 AA29 and Jnj-7706621 in Space Group P6122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.8
occ:1.00
 CL A:5E2402 0.0 0.8 1.0
C13 A:5E2402 1.7 0.8 1.0
C14 A:5E2402 2.7 0.1 1.0
C12 A:5E2402 2.7 0.1 1.0
CD A:GLU170 3.4 0.6 1.0
OE2 A:GLU170 3.4 0.8 1.0
OE1 A:GLU170 3.6 0.8 1.0
O A:LYS166 3.6 0.3 1.0
CB A:GLU170 3.7 0.7 1.0
C11 A:5E2402 3.9 0.9 1.0
CG A:GLU170 4.0 0.8 1.0
C15 A:5E2402 4.0 0.8 1.0
CB A:LYS166 4.1 0.9 1.0
OE1 A:GLU175 4.1 0.8 1.0
C A:LYS166 4.3 0.8 1.0
C10 A:5E2402 4.5 0.3 1.0
CG A:LYS166 4.6 0.3 1.0
CA A:LYS166 4.6 99.6 1.0
CA A:GLU170 4.7 0.6 1.0
CD A:LYS166 4.9 0.4 1.0
N A:GLU170 4.9 0.1 1.0

Reference:

M.Janecek, M.Rossmann, P.Sharma, A.Emery, D.J.Huggins, S.R.Stockwell, J.E.Stokes, Y.S.Tan, E.G.Almeida, B.Hardwick, A.J.Narvaez, M.Hyvonen, D.R.Spring, G.J.Mckenzie, A.R.Venkitaraman. Allosteric Modulation of Aurka Kinase Activity By A Small-Molecule Inhibitor of Its Protein-Protein Interaction with TPX2. Sci Rep V. 6 28528 2016.
ISSN: ESSN 2045-2322
PubMed: 27339427
DOI: 10.1038/SREP28528
Page generated: Sat Dec 12 11:39:26 2020

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