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Fluorine in PDB 4wwo: Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine
Enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine
All present enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine:
2.7.1.153; 2.7.11.1;
2.7.1.153; 2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine, PDB code: 4wwo
was solved by
D.A.Whittington,
J.Tang,
P.Yakowec,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.00 / 2.30 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 145.901, 68.175, 107.381, 90.00, 95.39, 90.00 |
| R / Rfree (%) | 21.9 / 27.4 |
Other elements in 4wwo:
The structure of Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine
(pdb code 4wwo). 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 Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine, PDB code: 4wwo:
In total only one binding site of Fluorine was determined in the Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine, PDB code: 4wwo:
Fluorine binding site 1 out of 1 in 4wwo
Go back to
Fluorine Binding Sites List in 4wwo
Fluorine binding site 1 out
of 1 in the Crystal Structure of Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine
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 Human PI3K-Gamma in Complex with Phenylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)Quinolin-3-Yl]Ethyl}- 9H-Purin-6-Amine within 5.0Å range:
|
Reference:
T.D.Cushing,
X.Hao,
Y.Shin,
K.Andrews,
M.Brown,
M.Cardozo,
Y.Chen,
J.Duquette,
B.Fisher,
F.Gonzalez-Lopez De Turiso,
X.He,
K.R.Henne,
Y.L.Hu,
R.Hungate,
M.G.Johnson,
R.C.Kelly,
B.Lucas,
J.D.Mccarter,
L.R.Mcgee,
J.C.Medina,
T.San Miguel,
D.Mohn,
V.Pattaropong,
L.H.Pettus,
A.Reichelt,
R.M.Rzasa,
J.Seganish,
A.S.Tasker,
R.C.Wahl,
S.Wannberg,
D.A.Whittington,
J.Whoriskey,
G.Yu,
L.Zalameda,
D.Zhang,
D.P.Metz.
Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(Pyridin-2-Yl)Quinolin-3-Yl)Ethyl) -9H-Purin-6-Amine (AMG319) and Related PI3K Delta Inhibitors For Inflammation and Autoimmune Disease. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25469863
DOI: 10.1021/JM501624R
Page generated: Thu Aug 1 06:35:10 2024
ISSN: ISSN 0022-2623
PubMed: 25469863
DOI: 10.1021/JM501624R
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