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Fluorine in PDB 3khm: Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
Enzymatic activity of Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
All present enzymatic activity of Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole:
1.14.13.70;
1.14.13.70;
Protein crystallography data
The structure of Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole, PDB code: 3khm
was solved by
G.I.Lepesheva,
T.Y.Hargrove,
S.Anderson,
Z.Wawrzak,
M.R.Waterman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.83 / 2.85 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 62.591, 62.591, 222.248, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 22.7 / 28 |
Other elements in 3khm:
The structure of Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole also contains other interesting chemical elements:
| Iron | (Fe) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
(pdb code 3khm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole, PDB code: 3khm:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole, PDB code: 3khm:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 3khm
Go back to
Fluorine Binding Sites List in 3khm
Fluorine binding site 1 out
of 2 in the Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
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 Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 3khm
Go back to
Fluorine Binding Sites List in 3khm
Fluorine binding site 2 out
of 2 in the Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole
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 Crystal Structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Cruzi in Complex with Inhibitor Fluconazole within 5.0Å range:
|
Reference:
G.I.Lepesheva,
T.Y.Hargrove,
S.Anderson,
Y.Kleshchenko,
V.Furtak,
Z.Wawrzak,
F.Villalta,
M.R.Waterman.
Structural Insights Into Inhibition of Sterol 14{Alpha}-Demethylase in the Human Pathogen Trypanosoma Cruzi. J.Biol.Chem. V. 285 25582 2010.
ISSN: ISSN 0021-9258
PubMed: 20530488
DOI: 10.1074/JBC.M110.133215
Page generated: Mon Jul 14 17:19:37 2025
ISSN: ISSN 0021-9258
PubMed: 20530488
DOI: 10.1074/JBC.M110.133215
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