|
Chlorine in PDB 5dsx: Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]Enzymatic activity of Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]
All present enzymatic activity of Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]:
2.1.1.43; Protein crystallography data
The structure of Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One], PDB code: 5dsx
was solved by
C.Scheufler,
C.Gaul,
C.Be,
H.Moebitz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5dsx:
The structure of Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One] also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]
(pdb code 5dsx). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One], PDB code: 5dsx: Jump to Chlorine binding site number: 1; 2; Chlorine binding site 1 out of 2 in 5dsxGo back to Chlorine Binding Sites List in 5dsx
Chlorine binding site 1 out
of 2 in the Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]
Mono view Stereo pair view
Chlorine binding site 2 out of 2 in 5dsxGo back to Chlorine Binding Sites List in 5dsx
Chlorine binding site 2 out
of 2 in the Crystal Structure of DOT1L in Complex with Inhibitor CPD10 [6'-Chloro- 1,4-Dimethyl-5'-(2-Methyl-6-((4-(Methylamino)Pyrimidin-2-Yl)Amino)- 1H-Indol-1-Yl)-[3,3'-Bipyridin]-2(1H)-One]
Mono view Stereo pair view
Reference:
C.Chen,
H.Zhu,
F.Stauffer,
G.Caravatti,
S.Vollmer,
R.Machauer,
P.Holzer,
H.Mobitz,
C.Scheufler,
M.Klumpp,
R.Tiedt,
K.S.Beyer,
K.Calkins,
D.Guthy,
M.Kiffe,
J.Zhang,
C.Gaul.
Discovery of Novel DOT1L Inhibitors Through A Structure-Based Fragmentation Approach. Acs Med.Chem.Lett. V. 7 735 2016.
Page generated: Sat Dec 12 11:39:35 2020
ISSN: ISSN 1948-5875 PubMed: 27563395 DOI: 10.1021/ACSMEDCHEMLETT.6B00167 |
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 |