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Fluorine in PDB 4ezj: Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf
Enzymatic activity of Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf
All present enzymatic activity of Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf:
2.7.1.153; 2.7.11.1;
2.7.1.153; 2.7.11.1;
Protein crystallography data
The structure of Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf, PDB code: 4ezj
was solved by
J.M.Murray,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 32.04 / 2.67 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 141.200, 67.120, 104.770, 90.00, 97.03, 90.00 |
| R / Rfree (%) | 20.7 / 26.8 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf
(pdb code 4ezj). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf, PDB code: 4ezj:
In total only one binding site of Fluorine was determined in the Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf, PDB code: 4ezj:
Fluorine binding site 1 out of 1 in 4ezj
Go back to
Fluorine Binding Sites List in 4ezj
Fluorine binding site 1 out
of 1 in the Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf within 5.0Å range:
|
Reference:
D.P.Sutherlin,
S.Baker,
A.Bisconte,
P.M.Blaney,
A.Brown,
B.K.Chan,
D.Chantry,
G.Castanedo,
P.Depledge,
P.Goldsmith,
D.M.Goldstein,
T.Hancox,
J.Kaur,
D.Knowles,
R.Kondru,
J.Lesnick,
M.C.Lucas,
C.Lewis,
J.Murray,
A.J.Nadin,
J.Nonomiya,
J.Pang,
N.Pegg,
S.Price,
K.Reif,
B.S.Safina,
L.Salphati,
S.Staben,
E.M.Seward,
S.Shuttleworth,
S.Sohal,
Z.K.Sweeney,
M.Ultsch,
B.Waszkowycz,
B.Wei.
Potent and Selective Inhibitors of PI3K-Delta: Obtaining Isoform Selectivity From the Affinity Pocket and Tryptophan Shelf Bioorg.Med.Chem.Lett. V. 22 4296 2012.
ISSN: ISSN 0960-894X
PubMed: 22672799
DOI: 10.1016/J.BMCL.2012.05.027
Page generated: Sun Dec 13 12:02:12 2020
ISSN: ISSN 0960-894X
PubMed: 22672799
DOI: 10.1016/J.BMCL.2012.05.027
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