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Chlorine in PDB 4wwp: Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine
Enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine
All present enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)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 Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine, PDB code: 4wwp
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 / 2.40 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 143.013, 67.633, 105.981, 90.00, 95.27, 90.00 |
| R / Rfree (%) | 21.1 / 25.2 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine
(pdb code 4wwp). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine, PDB code: 4wwp:
In total only one binding site of Chlorine was determined in the Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine, PDB code: 4wwp:
Chlorine binding site 1 out of 1 in 4wwp
Go back to
Chlorine Binding Sites List in 4wwp
Chlorine binding site 1 out
of 1 in the Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)Quinolin-3-Yl]Ethyl}-9H-Purin-6-Amine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human PI3K-Gamma in Complex with Pyridinylquinoline Inhibitor N-{(1S)-1-[8-Chloro-2-(2-Methylpyridin- 3-Yl)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: Fri Jul 26 03:08:11 2024
ISSN: ISSN 0022-2623
PubMed: 25469863
DOI: 10.1021/JM501624R
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