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Fluorine in PDB 5orr: Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
Enzymatic activity of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
All present enzymatic activity of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment, PDB code: 5orr
was solved by
P.J.Mcintyre,
P.M.Collins,
F.Von Delft,
R.Bayliss,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 65.98 / 2.09 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 82.140, 82.140, 176.500, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 19.9 / 25.6 |
Other elements in 5orr:
The structure of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
(pdb code 5orr). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment, PDB code: 5orr:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment, PDB code: 5orr:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 5orr
Go back to
Fluorine Binding Sites List in 5orr
Fluorine binding site 1 out
of 3 in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 5orr
Go back to
Fluorine Binding Sites List in 5orr
Fluorine binding site 2 out
of 3 in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 5orr
Go back to
Fluorine Binding Sites List in 5orr
Fluorine binding site 3 out
of 3 in the Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Aurora-A Kinase in Complex with An Allosterically Binding Fragment within 5.0Å range:
|
Reference:
P.J.Mcintyre,
P.M.Collins,
L.Vrzal,
K.Birchall,
L.H.Arnold,
C.Mpamhanga,
P.J.Coombs,
S.G.Burgess,
M.W.Richards,
A.Winter,
V.Veverka,
F.V.Delft,
A.Merritt,
R.Bayliss.
Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. Acs Chem. Biol. V. 12 2906 2017.
ISSN: ESSN 1554-8937
PubMed: 29045126
DOI: 10.1021/ACSCHEMBIO.7B00537
Page generated: Thu Aug 1 12:33:51 2024
ISSN: ESSN 1554-8937
PubMed: 29045126
DOI: 10.1021/ACSCHEMBIO.7B00537
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