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Iron in PDB 5frb: Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598
Enzymatic activity of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598
All present enzymatic activity of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598:
1.14.13.70;
1.14.13.70;
Protein crystallography data
The structure of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598, PDB code: 5frb
was solved by
T.Y.Hargrove,
Z.Wawrzak,
G.I.Lepesheva,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 95.14 / 2.99 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 109.857, 109.857, 84.838, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 25.8 / 28 |
Other elements in 5frb:
The structure of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598 also contains other interesting chemical elements:
| Fluorine | (F) | 4 atoms |
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598
(pdb code 5frb). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598, PDB code: 5frb:
In total only one binding site of Iron was determined in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598, PDB code: 5frb:
Iron binding site 1 out of 1 in 5frb
Go back to
Iron Binding Sites List in 5frb
Iron binding site 1 out
of 1 in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with A Tetrazole-Based Inhibitor Vt-1598 within 5.0Å range:
|
Reference:
T.Y.Hargrove,
E.P.Garvey,
W.J.Hoekstra,
C.M.Yates,
Z.Wawrzak,
G.Rachakonda,
F.Villalta,
G.I.Lepesheva.
Crystal Structure of the New Investigational Drug Candidate Vt-1598 in Complex with Aspergillus Fumigatus Sterol 14 Alpha-Demethylase Provides Insights Into Its Broad-Spectrum Antifungal Activity. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28461309
DOI: 10.1128/AAC.00570-17
Page generated: Tue Aug 6 01:19:32 2024
ISSN: ESSN 1098-6596
PubMed: 28461309
DOI: 10.1128/AAC.00570-17
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