Fluorine in PDB 6p8q: Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
Enzymatic activity of Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
All present enzymatic activity of Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor., PDB code: 6p8q
was solved by
C.H.Yun,
D.E.Heppner,
M.J.Eck,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 21.44 / 1.90 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 57.151, 72.874, 79.927, 100.16, 103.16, 95.61 |
| R / Rfree (%) | 16.8 / 19.5 |
Other elements in 6p8q:
The structure of Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor. also contains other interesting chemical elements:
| Magnesium | (Mg) | 5 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
(pdb code 6p8q). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor., PDB code: 6p8q:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor., PDB code: 6p8q:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6p8q
Go back to
Fluorine Binding Sites List in 6p8q
Fluorine binding site 1 out
of 4 in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
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 Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor. within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6p8q
Go back to
Fluorine Binding Sites List in 6p8q
Fluorine binding site 2 out
of 4 in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
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 Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor. within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6p8q
Go back to
Fluorine Binding Sites List in 6p8q
Fluorine binding site 3 out
of 4 in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
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 Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor. within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6p8q
Go back to
Fluorine Binding Sites List in 6p8q
Fluorine binding site 4 out
of 4 in the Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor.
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 4 of Egfr in Complex with A Dihydrodibenzodiazepinone Allosteric Inhibitor. within 5.0Å range:
|
Reference:
D.J.H.De Clercq,
D.E.Heppner,
C.To,
J.Jang,
E.Park,
C.H.Yun,
M.Mushajiang,
B.H.Shin,
T.W.Gero,
D.A.Scott,
P.A.Janne,
M.J.Eck,
N.S.Gray.
Discovery and Optimization of Dibenzodiazepinones As Allosteric Mutant-Selective Egfr Inhibitors. Acs Med.Chem.Lett. V. 10 1549 2019.
ISSN: ISSN 1948-5875
PubMed: 31749909
DOI: 10.1021/ACSMEDCHEMLETT.9B00381
Page generated: Sun Dec 13 13:05:12 2020
ISSN: ISSN 1948-5875
PubMed: 31749909
DOI: 10.1021/ACSMEDCHEMLETT.9B00381
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