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Fluorine in PDB 5fbn: Btk Kinase Domain with Inhibitor 1
Enzymatic activity of Btk Kinase Domain with Inhibitor 1
All present enzymatic activity of Btk Kinase Domain with Inhibitor 1:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Btk Kinase Domain with Inhibitor 1, PDB code: 5fbn
was solved by
H.C.A.Raaijmakers,
D.Vu-Pham,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 103.05 / 1.80 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 38.262, 71.475, 103.056, 90.00, 90.68, 90.00 |
| R / Rfree (%) | 17.9 / 22.6 |
Other elements in 5fbn:
The structure of Btk Kinase Domain with Inhibitor 1 also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Btk Kinase Domain with Inhibitor 1
(pdb code 5fbn). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Btk Kinase Domain with Inhibitor 1, PDB code: 5fbn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Btk Kinase Domain with Inhibitor 1, PDB code: 5fbn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 1 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 2 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 2 of Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 3 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 3 of Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 4 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 4 of Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 5 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 5 of Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 5fbn
Go back to
Fluorine Binding Sites List in 5fbn
Fluorine binding site 6 out
of 6 in the Btk Kinase Domain with Inhibitor 1
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 6 of Btk Kinase Domain with Inhibitor 1 within 5.0Å range:
|
Reference:
J.Liu,
D.Guiadeen,
A.Krikorian,
X.Gao,
J.Wang,
S.B.Boga,
A.B.Alhassan,
Y.Yu,
H.Vaccaro,
S.Liu,
C.Yang,
H.Wu,
A.Cooper,
J.De Man,
A.Kaptein,
K.Maloney,
V.Hornak,
Y.D.Gao,
T.O.Fischmann,
H.Raaijmakers,
D.Vu-Pham,
J.Presland,
M.Mansueto,
Z.Xu,
E.Leccese,
J.Zhang-Hoover,
I.Knemeyer,
C.G.Garlisi,
N.Bays,
P.Stivers,
P.E.Brandish,
A.Hicks,
R.Kim,
J.A.Kozlowski.
Discovery of 8-Amino-Imidazo[1,5-A]Pyrazines As Reversible Btk Inhibitors For the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett. V. 7 198 2016.
ISSN: ISSN 1948-5875
PubMed: 26985298
DOI: 10.1021/ACSMEDCHEMLETT.5B00463
Page generated: Thu Aug 1 09:19:54 2024
ISSN: ISSN 1948-5875
PubMed: 26985298
DOI: 10.1021/ACSMEDCHEMLETT.5B00463
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