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Sodium in PDB 6uf0: Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch DomainProtein crystallography data
The structure of Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain, PDB code: 6uf0
was solved by
P.R.Lazzara,
B.P.David,
A.Ankireddy,
B.G.Richardson,
K.Dye,
K.M.Ratia,
S.P.Reddy,
T.W.Moore,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 6uf0:
The structure of Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain
(pdb code 6uf0). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain, PDB code: 6uf0: Jump to Sodium binding site number: 1; 2; Sodium binding site 1 out of 2 in 6uf0Go back to Sodium Binding Sites List in 6uf0
Sodium binding site 1 out
of 2 in the Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain
Mono view Stereo pair view
Sodium binding site 2 out of 2 in 6uf0Go back to Sodium Binding Sites List in 6uf0
Sodium binding site 2 out
of 2 in the Crystal Structure of N-(4-((4-Methoxy-N-(2,2,2-Trifluoroethyl)Phenyl) Sulfonamido)Isoquinolin-1-Yl)-N-((4-Methoxyphenyl)Sulfonyl)Glycine Bound to Human KEAP1 Kelch Domain
Mono view Stereo pair view
Reference:
P.R.Lazzara,
B.P.David,
A.Ankireddy,
B.G.Richardson,
K.Dye,
K.M.Ratia,
S.P.Reddy,
T.W.Moore.
Isoquinoline Kelch-Like Ech-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-Like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability. J.Med.Chem. 2019.
Page generated: Tue Dec 15 14:31:35 2020
ISSN: ISSN 0022-2623 PubMed: 31682434 DOI: 10.1021/ACS.JMEDCHEM.9B01074 |
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