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Chlorine in PDB 6bgy: Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46)Protein crystallography data
The structure of Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46), PDB code: 6bgy
was solved by
J.R.Horton,
X.Cheng,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 6bgy:
The structure of Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46) also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46)
(pdb code 6bgy). 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 Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46), PDB code: 6bgy: Chlorine binding site 1 out of 1 in 6bgyGo back to Chlorine Binding Sites List in 6bgy
Chlorine binding site 1 out
of 1 in the Linked KDM5A Jmj Domain Bound to the Inhibitor 2-((2-Chlorophenyl)(2- (1-Methylpyrrolidin-2-Yl)Ethoxy)Methyl)-1H-Pyrrolo[3,2-B]Pyridine-7- Carboxylic Acid(Compound 46)
Mono view Stereo pair view
Reference:
J.R.Horton,
X.Liu,
L.Wu,
K.Zhang,
J.Shanks,
X.Zhang,
G.Rai,
B.T.Mott,
D.J.Jansen,
S.C.Kales,
M.J.Henderson,
K.Pohida,
Y.Fang,
X.Hu,
A.Jadhav,
D.J.Maloney,
M.D.Hall,
A.Simeonov,
H.Fu,
P.M.Vertino,
Q.Yan,
X.Cheng.
Insights Into the Action of Inhibitor Enantiomers Against Histone Lysine Demethylase 5A. J. Med. Chem. V. 61 3193 2018.
Page generated: Sat Dec 12 12:46:20 2020
ISSN: ISSN 1520-4804 PubMed: 29537847 DOI: 10.1021/ACS.JMEDCHEM.8B00261 |
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