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Palladium in PDB 8ejb: Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide
Enzymatic activity of Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide
All present enzymatic activity of Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide, PDB code: 8ejb
was solved by
S.Gajewski,
M.C.Clifton,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 52.94 / 1.58 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 38.21, 76.24, 105.87, 90, 90, 90 |
| R / Rfree (%) | 16.8 / 19.1 |
Other elements in 8ejb:
The structure of Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Palladium Binding Sites:
The binding sites of Palladium atom in the Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide
(pdb code 8ejb). This binding sites where shown within
5.0 Angstroms radius around Palladium atom.
In total only one binding site of Palladium was determined in the Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide, PDB code: 8ejb:
In total only one binding site of Palladium was determined in the Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide, PDB code: 8ejb:
Palladium binding site 1 out of 1 in 8ejb
Go back to
Palladium Binding Sites List in 8ejb
Palladium binding site 1 out
of 1 in the Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Palladium with other atoms in the Pd binding
site number 1 of Bruton'S Tyrosine Kinase in Complex with 3-{[4-(1-Acetylpiperidin-4- Yl)Phenyl]Amino}-5-[(3R)-3-(3-Methyl-2-Oxoimidazolidin-1-Yl) Piperidin-1-Yl]Pyrazine-2-Carboxamide within 5.0Å range:
|
Reference:
D.Zhang,
H.M.Harris,
J.Chen,
J.T.Judy,
G.James,
A.Kelly,
J.Mcintosh,
A.Tenn-Mcclellan,
E.R.Ambing,
Y.S.Tan,
H.Lu,
S.Gajewski,
M.C.Clifton,
S.Yung,
D.W.Robbins,
M.Piroozia,
S.S.Skanland,
E.M.Gaglione,
M.Mhibik,
C.Underbayev,
I.Ahn,
C.Sun,
S.E.M.Herman,
M.A.Noviski,
A.Wiestner.
-----Nrx-0492 Degrades Wildtype and C481 Mutant Btk and Demonstrates in Vivo Activity in Cll Patient Derived Xenografts. Blood 2022.
ISSN: ESSN 1528-0020
PubMed: 36375120
DOI: 10.1182/BLOOD.2022016934
Page generated: Thu Oct 10 10:23:10 2024
ISSN: ESSN 1528-0020
PubMed: 36375120
DOI: 10.1182/BLOOD.2022016934
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