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Iron in PDB 5esm: Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole

Enzymatic activity of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole

All present enzymatic activity of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole:
1.14.13.70;

Protein crystallography data

The structure of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole, PDB code: 5esm was solved by A.Sagatova, M.V.Keniya, R.K.Wilson, M.Sabherwal, J.D.A.Tyndall, B.C.Monk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.91 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.370, 67.640, 81.040, 90.00, 99.77, 90.00
R / Rfree (%) 20.3 / 23.3

Other elements in 5esm:

The structure of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole (pdb code 5esm). 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 Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole, PDB code: 5esm:

Iron binding site 1 out of 1 in 5esm

Go back to Iron Binding Sites List in 5esm
Iron binding site 1 out of 1 in the Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) T322I Mutant Complexed with Fluconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:32.7
occ:1.00
 FE A:HEM601 0.0 32.7 1.0
NC A:HEM601 2.0 35.5 1.0
NA A:HEM601 2.1 32.8 1.0
NB A:HEM601 2.1 32.4 1.0
ND A:HEM601 2.1 33.6 1.0
N5 A:TPF602 2.1 34.5 1.0
SG A:CYS470 2.3 34.3 1.0
C4C A:HEM601 3.0 34.4 1.0
C1C A:HEM601 3.1 33.5 1.0
C1A A:HEM601 3.1 34.2 1.0
C4B A:HEM601 3.1 33.8 1.0
C1D A:HEM601 3.1 33.6 1.0
C4D A:HEM601 3.1 32.9 1.0
C4A A:HEM601 3.1 34.0 1.0
C1B A:HEM601 3.1 32.5 1.0
C7 A:TPF602 3.1 35.0 1.0
C6 A:TPF602 3.2 35.5 1.0
CB A:CYS470 3.3 32.3 1.0
CHD A:HEM601 3.4 32.4 1.0
CHA A:HEM601 3.4 31.9 1.0
CHC A:HEM601 3.4 34.6 1.0
CHB A:HEM601 3.5 31.5 1.0
CA A:CYS470 4.1 33.8 1.0
C3C A:HEM601 4.3 34.0 1.0
C2C A:HEM601 4.3 33.5 1.0
N4 A:TPF602 4.3 38.0 1.0
C2A A:HEM601 4.3 32.0 1.0
N6 A:TPF602 4.3 35.7 1.0
C3B A:HEM601 4.3 33.9 1.0
C3A A:HEM601 4.3 32.9 1.0
C2D A:HEM601 4.3 34.1 1.0
C2B A:HEM601 4.3 33.3 1.0
C3D A:HEM601 4.3 32.0 1.0
N A:GLY472 4.9 31.8 1.0
N A:ILE471 4.9 31.5 1.0
C A:CYS470 5.0 34.1 1.0

Reference:

A.Sagatova, M.V.Keniya, R.K.Wilson, M.Sabherwal, J.D.A.Tyndall, B.C.Monk. Structures of Lanosterol 14-Alpha Demethylase Mutants. To Be Published.
Page generated: Tue Aug 6 00:33:14 2024

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