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PDB 6ugr-6v2u »
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Fluorine in PDB 6ut0: Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
Protein crystallography data
The structure of Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer, PDB code: 6ut0
was solved by
G.P.Vigers,
D.J.Smith,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.32 / 1.94 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.918, 61.800, 76.050, 90.00, 111.37, 90.00 |
| R / Rfree (%) | 17.5 / 22.2 |
Other elements in 6ut0:
The structure of Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer also contains other interesting chemical elements:
| Magnesium | (Mg) | 4 atoms |
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
(pdb code 6ut0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer, PDB code: 6ut0:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer, PDB code: 6ut0:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6ut0
Go back to
Fluorine Binding Sites List in 6ut0
Fluorine binding site 1 out
of 4 in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
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 Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6ut0
Go back to
Fluorine Binding Sites List in 6ut0
Fluorine binding site 2 out
of 4 in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
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 Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6ut0
Go back to
Fluorine Binding Sites List in 6ut0
Fluorine binding site 3 out
of 4 in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
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 Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6ut0
Go back to
Fluorine Binding Sites List in 6ut0
Fluorine binding site 4 out
of 4 in the Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer
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 Identification of the Clinical Development Candidate MRTX849, A Covalent KRASG12C Inhibitor For the Treatment of Cancer within 5.0Å range:
|
Reference:
J.B.Fell,
J.P.Fischer,
B.R.Baer,
J.F.Blake,
K.Bouhana,
D.M.Briere,
K.D.Brown,
L.E.Burgess,
A.C.Burns,
M.R.Burkard,
H.Chiang,
M.J.Chicarelli,
A.W.Cook,
J.J.Gaudino,
J.Hallin,
L.Hanson,
D.P.Hartley,
E.J.Hicken,
G.P.Hingorani,
R.J.Hinklin,
M.J.Mejia,
P.Olson,
J.N.Otten,
S.P.Rhodes,
M.E.Rodriguez,
P.Savechenkov,
D.J.Smith,
N.Sudhakar,
F.X.Sullivan,
T.P.Tang,
G.P.Vigers,
L.Wollenberg,
J.G.Christensen,
M.A.Marx.
Identification of the Clinical Development CANDIDATEMRTX849, A Covalent KRASG12CINHIBITOR For the Treatment of Cancer. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32250617
DOI: 10.1021/ACS.JMEDCHEM.9B02052
Page generated: Fri Aug 2 02:36:29 2024
ISSN: ISSN 0022-2623
PubMed: 32250617
DOI: 10.1021/ACS.JMEDCHEM.9B02052
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