|
Atomistry » Fluorine » PDB 5ko1-5lca » 5ktx | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5ko1-5lca » 5ktx » |
Fluorine in PDB 5ktx: Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)Enzymatic activity of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
All present enzymatic activity of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone):
2.3.1.48; Protein crystallography data
The structure of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone), PDB code: 5ktx
was solved by
J.M.Murray,
C.Noland,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
(pdb code 5ktx). 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 Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone), PDB code: 5ktx: Fluorine binding site 1 out of 1 in 5ktxGo back to Fluorine Binding Sites List in 5ktx
Fluorine binding site 1 out
of 1 in the Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
Mono view Stereo pair view
Reference:
T.D.Crawford,
F.A.Romero,
K.W.Lai,
V.Tsui,
A.M.Taylor,
G.De Leon Boenig,
C.L.Noland,
J.Murray,
J.Ly,
E.F.Choo,
T.L.Hunsaker,
E.W.Chan,
M.Merchant,
S.Kharbanda,
K.E.Gascoigne,
S.Kaufman,
M.H.Beresini,
J.Liao,
W.Liu,
K.X.Chen,
Z.Chen,
A.R.Conery,
A.Cote,
H.Jayaram,
Y.Jiang,
J.R.Kiefer,
T.Kleinheinz,
Y.Li,
J.Maher,
E.Pardo,
F.Poy,
K.L.Spillane,
F.Wang,
J.Wang,
X.Wei,
Z.Xu,
Z.Xu,
I.Yen,
L.Zawadzke,
X.Zhu,
S.Bellon,
R.Cummings,
A.G.Cochran,
B.K.Albrecht,
S.Magnuson.
Discovery of A Potent and Selective in Vivo Probe (Gne-272) For the Bromodomains of Cbp/EP300. J. Med. Chem. V. 59 10549 2016.
Page generated: Sun Dec 13 12:26:40 2020
ISSN: ISSN 1520-4804 PubMed: 27682507 DOI: 10.1021/ACS.JMEDCHEM.6B01022 |
Last articlesZn in 8WB0Zn in 8WAX Zn in 8WAU Zn in 8WAZ Zn in 8WAY Zn in 8WAV Zn in 8WAW Zn in 8WAT Zn in 8W7M Zn in 8WD3 |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |