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Fluorine in PDB 5bvn: Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors
Enzymatic activity of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors
All present enzymatic activity of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors, PDB code: 5bvn
was solved by
C.Murray,
V.Berdini,
I.Buck,
M.Carr,
A.Cleasby,
J.Coyle,
J.Curry,
J.Day,
K.Hearn,
A.Iqbal,
L.Lee,
V.Martins,
P.Mortenson,
J.Munck,
L.Page,
S.Patel,
S.Roomans,
T.Kirsten,
G.Saxty,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 31.80 / 2.21 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 61.040, 78.497, 74.499, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 25.2 / 32.8 |
Other elements in 5bvn:
The structure of Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors also contains other interesting chemical elements:
| Iodine | (I) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors
(pdb code 5bvn). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors, PDB code: 5bvn:
In total only one binding site of Fluorine was determined in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors, PDB code: 5bvn:
Fluorine binding site 1 out of 1 in 5bvn
Go back to
Fluorine Binding Sites List in 5bvn
Fluorine binding site 1 out
of 1 in the Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors
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 Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors within 5.0Å range:
|
Reference:
C.W.Murray,
V.Berdini,
I.M.Buck,
M.E.Carr,
A.Cleasby,
J.E.Coyle,
J.E.Curry,
J.E.Day,
P.J.Day,
K.Hearn,
A.Iqbal,
L.Y.Lee,
V.Martins,
P.N.Mortenson,
J.M.Munck,
L.W.Page,
S.Patel,
S.Roomans,
K.Smith,
E.Tamanini,
G.Saxty.
Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett. V. 6 798 2015.
ISSN: ISSN 1948-5875
PubMed: 26191369
DOI: 10.1021/ACSMEDCHEMLETT.5B00143
Page generated: Thu Aug 1 08:22:45 2024
ISSN: ISSN 1948-5875
PubMed: 26191369
DOI: 10.1021/ACSMEDCHEMLETT.5B00143
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