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Iron in PDB 5esh: Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole

Enzymatic activity of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole

All present enzymatic activity of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole:
1.14.13.70;

Protein crystallography data

The structure of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole, PDB code: 5esh 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) 29.95 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.560, 66.850, 80.880, 90.00, 98.34, 90.00
R / Rfree (%) 18.3 / 22.2

Other elements in 5esh:

The structure of Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole (pdb code 5esh). 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) G73W Mutant in Complex with Itraconazole, PDB code: 5esh:

Iron binding site 1 out of 1 in 5esh

Go back to Iron Binding Sites List in 5esh
Iron binding site 1 out of 1 in the Saccharomyces Cerevisiae CYP51 (Lanosterol 14-Alpha Demethylase) G73W Mutant in Complex with Itraconazole


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) G73W Mutant in Complex with Itraconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:27.9
occ:1.00
 FE A:HEM601 0.0 27.9 1.0
NC A:HEM601 2.0 30.6 1.0
NB A:HEM601 2.0 27.1 1.0
NA A:HEM601 2.0 27.3 1.0
ND A:HEM601 2.1 25.2 1.0
SG A:CYS470 2.2 27.3 1.0
N39 A:1YN602 2.3 28.5 1.0
C4C A:HEM601 3.0 29.5 1.0
C1C A:HEM601 3.0 30.6 1.0
C4B A:HEM601 3.0 23.6 1.0
C1B A:HEM601 3.1 24.7 1.0
C1D A:HEM601 3.1 24.9 1.0
C1A A:HEM601 3.1 30.0 1.0
C4A A:HEM601 3.1 27.7 1.0
C4D A:HEM601 3.1 28.1 1.0
C40 A:1YN602 3.2 29.6 1.0
CB A:CYS470 3.3 22.1 1.0
C38 A:1YN602 3.3 32.4 1.0
CHC A:HEM601 3.4 30.5 1.0
CHD A:HEM601 3.4 25.5 1.0
CHB A:HEM601 3.5 25.1 1.0
CHA A:HEM601 3.5 24.6 1.0
CA A:CYS470 4.1 30.2 1.0
C3C A:HEM601 4.2 27.9 1.0
C2C A:HEM601 4.2 26.0 1.0
C3B A:HEM601 4.2 24.6 1.0
C2B A:HEM601 4.3 29.5 1.0
C2A A:HEM601 4.3 28.0 1.0
C3A A:HEM601 4.3 26.9 1.0
C2D A:HEM601 4.3 28.3 1.0
C3D A:HEM601 4.4 26.3 1.0
N41 A:1YN602 4.4 34.9 1.0
N37 A:1YN602 4.4 33.4 1.0
N A:GLY472 4.8 31.9 1.0
N A:ILE471 4.9 26.1 1.0
C A:CYS470 5.0 30.8 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 00:32:11 2024

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