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Atomistry » Zinc » PDB 5i3m-5ijt » 5i8g | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Zinc » PDB 5i3m-5ijt » 5i8g » |
Zinc in PDB 5i8g: Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)Enzymatic activity of Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)
All present enzymatic activity of Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One):
2.3.1.48; Protein crystallography data
The structure of Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One), PDB code: 5i8g
was solved by
J.M.Murray,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5i8g:
The structure of Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One) also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)
(pdb code 5i8g). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One), PDB code: 5i8g: Jump to Zinc binding site number: 1; 2; 3; Zinc binding site 1 out of 3 in 5i8gGo back to![]() ![]()
Zinc binding site 1 out
of 3 in the Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)
![]() Mono view ![]() Stereo pair view
Zinc binding site 2 out of 3 in 5i8gGo back to![]() ![]()
Zinc binding site 2 out
of 3 in the Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)
![]() Mono view ![]() Stereo pair view
Zinc binding site 3 out of 3 in 5i8gGo back to![]() ![]()
Zinc binding site 3 out
of 3 in the Cbp in Complex with CPD637 ((R)-4-Methyl-6-(1-Methyl-3-(1-Methyl-1H- Pyrazol-4-Yl)-1H-Indazol-5-Yl)-1,3,4,5-Tetrahydro-2H-Benzo[B][1, 4]Diazepin-2-One)
![]() Mono view ![]() Stereo pair view
Reference:
A.M.Taylor,
A.Cote,
M.C.Hewitt,
R.Pastor,
Y.Leblanc,
C.G.Nasveschuk,
F.A.Romero,
T.D.Crawford,
N.Cantone,
H.Jayaram,
J.Setser,
J.Murray,
M.H.Beresini,
G.De Leon Boenig,
Z.Chen,
A.R.Conery,
R.T.Cummings,
L.A.Dakin,
E.M.Flynn,
O.W.Huang,
S.Kaufman,
P.J.Keller,
J.R.Kiefer,
T.Lai,
Y.Li,
J.Liao,
W.Liu,
H.Lu,
E.Pardo,
V.Tsui,
J.Wang,
Y.Wang,
Z.Xu,
F.Yan,
D.Yu,
L.Zawadzke,
X.Zhu,
X.Zhu,
R.J.Sims,
A.G.Cochran,
S.Bellon,
J.E.Audia,
S.Magnuson,
B.K.Albrecht.
Fragment-Based Discovery of A Selective and Cell-Active Benzodiazepinone Cbp/EP300 Bromodomain Inhibitor (Cpi-637). Acs Med.Chem.Lett. V. 7 531 2016.
Page generated: Sun Oct 27 18:01:02 2024
ISSN: ISSN 1948-5875 PubMed: 27190605 DOI: 10.1021/ACSMEDCHEMLETT.6B00075 |
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