Fluorine in PDB 6p1d: Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor
Enzymatic activity of Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor
All present enzymatic activity of Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor, PDB code: 6p1d
was solved by
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) | 65.17 / 2.40 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 71.946, 101.812, 86.510, 90.00, 101.04, 90.00 |
| R / Rfree (%) | 19.5 / 21.3 |
Other elements in 6p1d:
The structure of Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor
(pdb code 6p1d). 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 Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor, PDB code: 6p1d:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor, PDB code: 6p1d:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 6p1d
Go back to
Fluorine Binding Sites List in 6p1d
Fluorine binding site 1 out
of 3 in the Crystal Structure of Egfr with Mutant-Selective 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 Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 6p1d
Go back to
Fluorine Binding Sites List in 6p1d
Fluorine binding site 2 out
of 3 in the Crystal Structure of Egfr with Mutant-Selective 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 Crystal Structure of Egfr with Mutant-Selective Dihydrodibenzodiazepinone Allosteric Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 6p1d
Go back to
Fluorine Binding Sites List in 6p1d
Fluorine binding site 3 out
of 3 in the Crystal Structure of Egfr with Mutant-Selective 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 Crystal Structure of Egfr with Mutant-Selective 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 13:04:59 2020
ISSN: ISSN 1948-5875
PubMed: 31749909
DOI: 10.1021/ACSMEDCHEMLETT.9B00381
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