Fluorine in PDB 6x3p: Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
Enzymatic activity of Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
All present enzymatic activity of Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor:
2.7.10.2;
2.7.10.2;
Protein crystallography data
The structure of Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor, PDB code: 6x3p
was solved by
T.O.Fischmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.33 / 1.34 |
| Space group | P 21 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 72.010, 104.640, 38.000, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 20.4 / 21.7 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
(pdb code 6x3p). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor, PDB code: 6x3p:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor, PDB code: 6x3p:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 1 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 2 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 3 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 4 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 5 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 6x3p
Go back to
Fluorine Binding Sites List in 6x3p
Fluorine binding site 6 out
of 6 in the Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor
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 Co-Structure of Btk Kinase Domain with L-005298385 Inhibitor within 5.0Å range:
|
Reference:
J.Liu,
D.Guiadeen,
A.Krikorian,
X.Gao,
J.Wang,
S.Babu Boga,
A.B.Alhassan,
W.Yu,
O.Selyutin,
Y.Yu,
R.Anand,
J.Xu,
J.Kelly,
J.L.Duffy,
S.Liu,
C.Yang,
H.Wu,
J.Cai,
C.Bennett,
K.M.Maloney,
S.Tyagarajan,
Y.D.Gao,
T.O.Fischmann,
J.Presland,
M.Mansueto,
Z.Xu,
E.Leccese,
J.Zhang-Hoover,
I.Knemeyer,
C.G.Garlisi,
P.Stivers,
P.E.Brandish,
A.Hicks,
R.Kim,
J.A.Kozlowski.
Potent, Non-Covalent Reversible Btk Inhibitors with 8-Amino-Imidazo[1,5-A]Pyrazine Core Featuring 3-Position Bicyclic Ring Substitutes. Bioorg.Med.Chem.Lett. V. 30 27390 2020.
ISSN: ESSN 1464-3405
PubMed: 32738973
DOI: 10.1016/J.BMCL.2020.127390
Page generated: Sun Dec 13 13:34:16 2020
ISSN: ESSN 1464-3405
PubMed: 32738973
DOI: 10.1016/J.BMCL.2020.127390
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