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Fluorine in PDB 6hrp: Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-OneEnzymatic activity of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One
All present enzymatic activity of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One:
2.7.10.2; Protein crystallography data
The structure of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One, PDB code: 6hrp
was solved by
C.Janson,
A.Kuglstatter,
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 Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One
(pdb code 6hrp). 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 Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One, PDB code: 6hrp: Fluorine binding site 1 out of 1 in 6hrpGo back to Fluorine Binding Sites List in 6hrp
Fluorine binding site 1 out
of 1 in the Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(Morpholine-4- Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3-Pyridyl]Phenyl]-3,4- Dihydroisoquinolin-1-One
Mono view Stereo pair view
Reference:
F.Lopez-Tapia,
Y.Lou,
C.Brotherton-Pleiss,
A.Kuglstatter,
S.S.So,
R.Kondru.
A Potent Seven-Membered Cyclic Btk (Bruton'S Tyrosine Kinase) Chiral Inhibitor Conceived By Structure-Based Drug Design to Lock Its Bioactive Conformation. Bioorg.Med.Chem.Lett. V. 29 1074 2019.
Page generated: Sun Dec 13 12:53:49 2020
ISSN: ESSN 1464-3405 PubMed: 30857747 DOI: 10.1016/J.BMCL.2019.03.001 |
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