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Bromine in PDB 5dpv: Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122

Enzymatic activity of Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122

All present enzymatic activity of Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122:
2.7.11.1;

Protein crystallography data

The structure of Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122, PDB code: 5dpv 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) 72.54 / 2.29
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 83.760, 83.760, 166.471, 90.00, 90.00, 120.00
R / Rfree (%) 22.2 / 28

Other elements in 5dpv:

The structure of Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122 (pdb code 5dpv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122, PDB code: 5dpv:

Bromine binding site 1 out of 1 in 5dpv

Go back to Bromine Binding Sites List in 5dpv
Bromine binding site 1 out of 1 in the Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Aurora A Kinase in Complex with AA35 and Jnj-7706621 in Space Group P6122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:0.4
occ:1.00
 BR A:5DN401 0.0 0.4 1.0
C11 A:5DN401 1.9 0.8 1.0
C10 A:5DN401 2.9 0.5 1.0
C13 A:5DN401 2.9 0.6 1.0
CG A:LEU178 3.6 95.6 1.0
CG2 A:VAL182 3.6 91.2 1.0
CD2 A:LEU178 3.7 96.2 1.0
CA A:ARG179 3.9 89.8 0.5
CA A:ARG179 4.0 89.8 0.5
N A:ARG179 4.0 90.3 0.5
CG A:ARG179 4.0 98.3 0.5
O A:LEU178 4.0 92.0 1.0
C A:LEU178 4.1 93.8 1.0
CB A:VAL182 4.1 91.8 1.0
C09 A:5DN401 4.2 0.3 1.0
C07 A:5DN401 4.2 99.5 1.0
CG1 A:VAL206 4.2 78.8 1.0
N A:ARG179 4.2 90.3 0.5
CB A:ARG179 4.3 90.4 0.5
CB A:LEU178 4.5 92.6 1.0
CD1 A:LEU178 4.5 95.3 1.0
CB A:ARG179 4.6 90.4 0.5
CG1 A:VAL182 4.6 91.8 1.0
CG A:ARG179 4.6 98.3 0.5
C08 A:5DN401 4.7 98.4 1.0
CD2 A:LEU208 4.7 76.2 1.0
NH1 A:ARG179 4.8 84.7 0.5
CD A:ARG179 4.8 0.3 0.5
CZ A:ARG179 4.9 0.8 0.5
NE A:ARG179 4.9 97.9 0.5
CA A:LEU178 4.9 93.0 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: Wed Jul 10 23:26:37 2024

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