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Iron in PDB 5tz1: Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
Enzymatic activity of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
All present enzymatic activity of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1):
1.14.13.70;
1.14.13.70;
Protein crystallography data
The structure of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1), PDB code: 5tz1
was solved by
T.Hargrove,
Z.Wawrzak,
G.Lepesheva,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.61 / 2.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 177.640, 71.440, 79.190, 90.00, 96.63, 90.00 |
| R / Rfree (%) | 21.8 / 22.4 |
Other elements in 5tz1:
The structure of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1) also contains other interesting chemical elements:
| Fluorine | (F) | 14 atoms |
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
(pdb code 5tz1). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1), PDB code: 5tz1:
Jump to Iron binding site number: 1; 2;
In total 2 binding sites of Iron where determined in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1), PDB code: 5tz1:
Jump to Iron binding site number: 1; 2;
Iron binding site 1 out of 2 in 5tz1
Go back to
Iron Binding Sites List in 5tz1
Iron binding site 1 out
of 2 in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
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 (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1) within 5.0Å range:
|
Iron binding site 2 out of 2 in 5tz1
Go back to
Iron Binding Sites List in 5tz1
Iron binding site 2 out
of 2 in the Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1)
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 2 of Crystal Structure of Sterol 14-Alpha Demethylase (CYP51) From Candida Albicans in Complex with the Tetrazole-Based Antifungal Drug Candidate VT1161 (VT1) within 5.0Å range:
|
Reference:
T.Y.Hargrove,
L.Friggeri,
Z.Wawrzak,
A.Qi,
W.J.Hoekstra,
R.J.Schotzinger,
J.D.York,
F.P.Guengerich,
G.I.Lepesheva.
Structural Analyses of Candida Albicans Sterol 14 Alpha-Demethylase Complexed with Azole Drugs Address the Molecular Basis of Azole-Mediated Inhibition of Fungal Sterol Biosynthesis. J. Biol. Chem. V. 292 6728 2017.
ISSN: ESSN 1083-351X
PubMed: 28258218
DOI: 10.1074/JBC.M117.778308
Page generated: Tue Aug 6 09:43:06 2024
ISSN: ESSN 1083-351X
PubMed: 28258218
DOI: 10.1074/JBC.M117.778308
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