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Atomistry » Zinc » PDB 5v37-5vdu » 5v9p | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Zinc » PDB 5v37-5vdu » 5v9p » |
Zinc in PDB 5v9p: Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5AProtein crystallography data
The structure of Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A, PDB code: 5v9p
was solved by
J.R.Kiefer,
J.Liang,
M.Vinogradova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5v9p:
The structure of Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A
(pdb code 5v9p). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A, PDB code: 5v9p: Jump to Zinc binding site number: 1; 2; Zinc binding site 1 out of 2 in 5v9pGo back to Zinc Binding Sites List in 5v9p
Zinc binding site 1 out
of 2 in the Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A
Mono view Stereo pair view
Zinc binding site 2 out of 2 in 5v9pGo back to Zinc Binding Sites List in 5v9p
Zinc binding site 2 out
of 2 in the Crystal Structure of Pyrrolidine Amide Inhibitor [(3S)-3-(4-Bromo-1H- Pyrazol-1-Yl)Pyrrolidin-1-Yl][3-(Propan-2-Yl)-1H-Pyrazol-5- Yl]Methanone (Compound 35) in Complex with KDM5A
Mono view Stereo pair view
Reference:
J.Liang,
S.Labadie,
B.Zhang,
D.F.Ortwine,
S.Patel,
M.Vinogradova,
J.R.Kiefer,
T.Mauer,
V.S.Gehling,
J.C.Harmange,
R.Cummings,
T.Lai,
J.Liao,
X.Zheng,
Y.Liu,
A.Gustafson,
E.Van Der Porten,
W.Mao,
B.M.Liederer,
G.Deshmukh,
L.An,
Y.Ran,
M.Classon,
P.Trojer,
P.S.Dragovich,
L.Murray.
From A Novel Hts Hit to Potent, Selective, and Orally Bioavailable KDM5 Inhibitors. Bioorg. Med. Chem. Lett. V. 27 2974 2017.
Page generated: Mon Oct 28 12:40:26 2024
ISSN: ESSN 1464-3405 PubMed: 28512031 DOI: 10.1016/J.BMCL.2017.05.016 |
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