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Atomistry » Fluorine » PDB 461d-4azy » 4afe | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 461d-4azy » 4afe » |
Fluorine in PDB 4afe: NEK2 Bound to Hybrid Compound 21Enzymatic activity of NEK2 Bound to Hybrid Compound 21
All present enzymatic activity of NEK2 Bound to Hybrid Compound 21:
2.7.11.1; Protein crystallography data
The structure of NEK2 Bound to Hybrid Compound 21, PDB code: 4afe
was solved by
S.Yeoh,
P.Innocenti,
S.Hoelder,
R.Bayliss,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the NEK2 Bound to Hybrid Compound 21
(pdb code 4afe). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the NEK2 Bound to Hybrid Compound 21, PDB code: 4afe: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 4afeGo back to Fluorine Binding Sites List in 4afe
Fluorine binding site 1 out
of 3 in the NEK2 Bound to Hybrid Compound 21
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 4afeGo back to Fluorine Binding Sites List in 4afe
Fluorine binding site 2 out
of 3 in the NEK2 Bound to Hybrid Compound 21
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 4afeGo back to Fluorine Binding Sites List in 4afe
Fluorine binding site 3 out
of 3 in the NEK2 Bound to Hybrid Compound 21
Mono view Stereo pair view
Reference:
P.Innocenti,
K.M.Cheung,
S.Solanki,
C.Mas-Droux,
F.Rowan,
S.Yeoh,
K.Boxall,
M.Westlake,
L.Pickard,
T.Hardy,
J.E.Baxter,
G.W.Aherne,
R.Bayliss,
A.M.Fry,
S.Hoelder.
Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase NEK2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem. V. 55 3228 2012.
Page generated: Sun Dec 13 11:58:40 2020
ISSN: ISSN 0022-2623 PubMed: 22404346 DOI: 10.1021/JM201683B |
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