Fluorine in PDB 5yea: The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor
Enzymatic activity of The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor
All present enzymatic activity of The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor:
3.1.1.47;
3.1.1.47;
Protein crystallography data
The structure of The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor, PDB code: 5yea
was solved by
Q.F.Liu,
Y.C.Xu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 37.70 / 1.81 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 115.791, 83.408, 96.889, 90.00, 114.57, 90.00 |
| R / Rfree (%) | 17.7 / 21.1 |
Other elements in 5yea:
The structure of The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor
(pdb code 5yea). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor, PDB code: 5yea:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor, PDB code: 5yea:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 1 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 2 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 3 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 4 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 5 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 5yea
Go back to
Fluorine Binding Sites List in 5yea
Fluorine binding site 6 out
of 6 in the The Crystal Structure of Lp-PLA2 in Complex with A Novel 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 The Crystal Structure of Lp-PLA2 in Complex with A Novel Inhibitor within 5.0Å range:
|
Reference:
Q.Liu,
F.Huang,
X.Yuan,
K.Wang,
Y.Zou,
J.Shen,
Y.Xu.
Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem. V. 60 10231 2017.
ISSN: ISSN 1520-4804
PubMed: 29193967
DOI: 10.1021/ACS.JMEDCHEM.7B01530
Page generated: Sun Dec 13 12:43:20 2020
ISSN: ISSN 1520-4804
PubMed: 29193967
DOI: 10.1021/ACS.JMEDCHEM.7B01530
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