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Atomistry » Fluorine » PDB 4zga-4zzi » 4zji | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 4zga-4zzi » 4zji » |
Fluorine in PDB 4zji: PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-DibenzodiazepineEnzymatic activity of PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
All present enzymatic activity of PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine:
2.7.11.1; Protein crystallography data
The structure of PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine, PDB code: 4zji
was solved by
S.Gutmann,
G.Rummel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4zji:
The structure of PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
(pdb code 4zji). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine, PDB code: 4zji: Jump to Fluorine binding site number: 1; 2; 3; 4; Fluorine binding site 1 out of 4 in 4zjiGo back to Fluorine Binding Sites List in 4zji
Fluorine binding site 1 out
of 4 in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
Mono view Stereo pair view
Fluorine binding site 2 out of 4 in 4zjiGo back to Fluorine Binding Sites List in 4zji
Fluorine binding site 2 out
of 4 in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
Mono view Stereo pair view
Fluorine binding site 3 out of 4 in 4zjiGo back to Fluorine Binding Sites List in 4zji
Fluorine binding site 3 out
of 4 in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
Mono view Stereo pair view
Fluorine binding site 4 out of 4 in 4zjiGo back to Fluorine Binding Sites List in 4zji
Fluorine binding site 4 out
of 4 in the PAK1 in Complex with 2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin- 1-Yl)-Dibenzodiazepine
Mono view Stereo pair view
Reference:
A.S.Karpov,
P.Amiri,
C.Bellamacina,
M.H.Bellance,
W.Breitenstein,
D.Daniel,
R.Denay,
D.Fabbro,
C.Fernandez,
I.Galuba,
S.Guerro-Lagasse,
S.Gutmann,
L.Hinh,
W.Jahnke,
J.Klopp,
A.Lai,
M.K.Lindvall,
S.Ma,
H.Mobitz,
S.Pecchi,
G.Rummel,
K.Shoemaker,
J.Trappe,
C.Voliva,
S.W.Cowan-Jacob,
A.L.Marzinzik.
Optimization of A Dibenzodiazepine Hit to A Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett. V. 6 776 2015.
Page generated: Thu Aug 1 07:18:20 2024
ISSN: ISSN 1948-5875 PubMed: 26191365 DOI: 10.1021/ACSMEDCHEMLETT.5B00102 |
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