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PDB 6ltk-6mh7 »
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Fluorine in PDB 6lxy: IRAK4 in Complex with Inhibitor
Enzymatic activity of IRAK4 in Complex with Inhibitor
All present enzymatic activity of IRAK4 in Complex with Inhibitor:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of IRAK4 in Complex with Inhibitor, PDB code: 6lxy
was solved by
K.Ghosh,
S.Bose,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.08 / 2.19 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 135.670, 140.810, 86.280, 90.00, 125.70, 90.00 |
| R / Rfree (%) | 20.1 / 23.1 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the IRAK4 in Complex with Inhibitor
(pdb code 6lxy). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the IRAK4 in Complex with Inhibitor, PDB code: 6lxy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Fluorine where determined in the IRAK4 in Complex with Inhibitor, PDB code: 6lxy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Fluorine binding site 1 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 1 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 2 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 3 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 4 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 5 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 6 out
of 8 in the IRAK4 in Complex with 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 IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 7 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 7 out
of 8 in the IRAK4 in Complex with 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 7 of IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Fluorine binding site 8 out of 8 in 6lxy
Go back to
Fluorine Binding Sites List in 6lxy
Fluorine binding site 8 out
of 8 in the IRAK4 in Complex with 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 8 of IRAK4 in Complex with Inhibitor within 5.0Å range:
|
Reference:
S.Nair,
S.R.Kumar,
V.R.Paidi,
R.Sistla,
D.Kantheti,
S.R.Polimera,
S.Thangavel,
A.J.Mukherjee,
M.Das,
R.S.Bhide,
W.J.Pitts,
N.Murugesan,
S.Dudhgoankar,
J.Nagar,
S.Subramani,
D.Mazumder,
J.A.Carman,
D.A.Holloway,
X.Li,
M.P.Fereshteh,
S.Ruepp,
K.Palanisamy,
T.T.Mariappan,
S.Maddi,
A.Saxena,
P.Elzinga,
A.Chimalakonda,
Q.Ruan,
K.Ghosh,
S.Bose,
J.Sack,
C.Yan,
S.E.Kiefer,
D.Xie,
J.A.Newitt,
S.P.Saravanakumar,
R.A.Rampulla,
J.C.Barrish,
P.H.Carter,
J.Hynes Jr..
Optimization of Nicotinamides As Potent and Selective IRAK4 Inhibitors with Efficacy in A Murine Model of Psoriasis. Acs Med.Chem.Lett. V. 11 1402 2020.
ISSN: ISSN 1948-5875
PubMed: 32676146
DOI: 10.1021/ACSMEDCHEMLETT.0C00082
Page generated: Thu Aug 1 22:09:10 2024
ISSN: ISSN 1948-5875
PubMed: 32676146
DOI: 10.1021/ACSMEDCHEMLETT.0C00082
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