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Fluorine in PDB 3rwp: Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1)
Enzymatic activity of Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1)
All present enzymatic activity of Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1):
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1), PDB code: 3rwp
was solved by
S.E.Greasley,
M.Hickey,
R.-A.Ferre,
M.Krauss,
C.Cronin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 1.92 |
| Space group | P 32 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 122.982, 122.982, 47.505, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 17.2 / 21.3 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1)
(pdb code 3rwp). 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 Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1), PDB code: 3rwp:
In total only one binding site of Fluorine was determined in the Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1), PDB code: 3rwp:
Fluorine binding site 1 out of 1 in 3rwp
Go back to
Fluorine Binding Sites List in 3rwp
Fluorine binding site 1 out
of 1 in the Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1)
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 Discovery of A Novel, Potent and Selective Inhibitor of 3- Phosphoinositide Dependent Kinase (PDK1) within 5.0Å range:
|
Reference:
S.T.Murphy,
G.Alton,
S.Bailey,
S.M.Baxi,
B.J.Burke,
T.A.Chappie,
J.Ermolieff,
R.Ferre,
S.Greasley,
M.Hickey,
J.Humphrey,
N.Kablaoui,
J.Kath,
S.Kazmirski,
M.Kraus,
S.Kupchinsky,
J.Li,
L.Lingardo,
M.A.Marx,
D.Richter,
S.P.Tanis,
K.Tran,
W.Vernier,
Z.Xie,
M.J.Yin,
X.H.Yu.
Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem. V. 54 8490 2011.
ISSN: ISSN 0022-2623
PubMed: 22040023
DOI: 10.1021/JM201019K
Page generated: Wed Jul 31 22:23:37 2024
ISSN: ISSN 0022-2623
PubMed: 22040023
DOI: 10.1021/JM201019K
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