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Iron in PDB 8ekt: CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1)
Enzymatic activity of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1)
All present enzymatic activity of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1):
1.14.13.70;
1.14.13.70;
Protein crystallography data
The structure of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1), PDB code: 8ekt
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) | 29.89 / 2.29 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 99.453, 99.304, 107.915, 81.22, 84.08, 60.08 |
| R / Rfree (%) | 21.3 / 22.4 |
Other elements in 8ekt:
The structure of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) also contains other interesting chemical elements:
| Fluorine | (F) | 42 atoms |
Iron Binding Sites:
The binding sites of Iron atom in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1)
(pdb code 8ekt). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1), PDB code: 8ekt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Iron where determined in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1), PDB code: 8ekt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;
Iron binding site 1 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 1 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Iron binding site 2 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 2 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Iron binding site 3 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 3 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 3 of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Iron binding site 4 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 4 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 4 of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Iron binding site 5 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 5 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 5 of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Iron binding site 6 out of 6 in 8ekt
Go back to
Iron Binding Sites List in 8ekt
Iron binding site 6 out
of 6 in the CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(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 6 of CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole- Based Ind Inhibitor Vt-1161(VT1) within 5.0Å range:
|
Reference:
T.Y.Hargrove,
Z.Wawrzak,
G.I.Lepesheva.
CYP51 From Acanthamoeba Castellanii in Complex with the Tetrazole-Based Inhibitor Vt-1161 To Be Published.
Page generated: Thu Aug 7 16:28:16 2025
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