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Fluorine in PDB 1eau: Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone
Enzymatic activity of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone
All present enzymatic activity of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone:
3.4.21.36;
3.4.21.36;
Protein crystallography data
The structure of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone, PDB code: 1eau
was solved by
C.Ceccarelli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 10.00 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.850, 58.310, 75.660, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.1 / n/a |
Other elements in 1eau:
The structure of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone also contains other interesting chemical elements:
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone
(pdb code 1eau). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone, PDB code: 1eau:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone, PDB code: 1eau:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 1eau
Go back to
Fluorine Binding Sites List in 1eau
Fluorine binding site 1 out
of 2 in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone
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 Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 1eau
Go back to
Fluorine Binding Sites List in 1eau
Fluorine binding site 2 out
of 2 in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone
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 Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone within 5.0Å range:
|
Reference:
P.R.Bernstein,
B.C.Gomes,
B.J.Kosmider,
E.P.Vacek,
J.C.Williams.
Nonpeptidic Inhibitors of Human Leukocyte Elastase. 6. Design of A Potent, Intratracheally Active, Pyridone-Based Trifluoromethyl Ketone. J.Med.Chem. V. 38 212 1995.
ISSN: ISSN 0022-2623
PubMed: 7837235
DOI: 10.1021/JM00001A028
Page generated: Wed Jul 31 11:10:19 2024
ISSN: ISSN 0022-2623
PubMed: 7837235
DOI: 10.1021/JM00001A028
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