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Iron in PDB 5eae: Saccharomyces Cerevisiae CYP51 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole

Protein crystallography data

The structure of Saccharomyces Cerevisiae CYP51 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole, PDB code: 5eae was solved by J.D.A.Tyndall, M.Sabherwal, A.A.Sagatova, M.V.Keniya, R.K.Wilson, M.V.Woods, B.C.Monk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.92 / 2.11
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.900, 67.680, 81.030, 90.00, 99.38, 90.00
R / Rfree (%) 20.2 / 23.6

Other elements in 5eae:

The structure of Saccharomyces Cerevisiae CYP51 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Saccharomyces Cerevisiae CYP51 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole (pdb code 5eae). 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 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole, PDB code: 5eae:

Iron binding site 1 out of 1 in 5eae

Go back to Iron Binding Sites List in 5eae
Iron binding site 1 out of 1 in the Saccharomyces Cerevisiae CYP51 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole


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 Complexed with the Plant Pathogen Inhibitor R-Desthio-Prothioconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:28.6
occ:1.00
FE A:HEM602 0.0 28.6 1.0
NA A:HEM602 2.0 29.3 1.0
NC A:HEM602 2.0 32.7 1.0
NB A:HEM602 2.1 28.7 1.0
ND A:HEM602 2.1 27.1 1.0
N31 A:5L8601 2.3 31.8 1.0
SG A:CYS470 2.5 30.1 1.0
C4B A:HEM602 3.0 28.8 1.0
C1A A:HEM602 3.0 34.2 1.0
C1C A:HEM602 3.0 32.5 1.0
C4A A:HEM602 3.0 31.7 1.0
C1B A:HEM602 3.1 25.5 1.0
C4D A:HEM602 3.1 29.1 1.0
C4C A:HEM602 3.1 33.0 1.0
C1D A:HEM602 3.1 30.3 1.0
C30 A:5L8601 3.2 28.5 1.0
C32 A:5L8601 3.3 33.4 1.0
CB A:CYS470 3.4 27.4 1.0
CHC A:HEM602 3.4 30.2 1.0
CHA A:HEM602 3.4 27.9 1.0
CHB A:HEM602 3.5 27.9 1.0
CHD A:HEM602 3.5 30.7 1.0
CA A:CYS470 4.1 28.0 1.0
C3A A:HEM602 4.3 29.4 1.0
C2A A:HEM602 4.3 29.9 1.0
C2C A:HEM602 4.3 31.9 1.0
C3B A:HEM602 4.3 28.2 1.0
C3C A:HEM602 4.3 30.9 1.0
C2B A:HEM602 4.3 29.3 1.0
C3D A:HEM602 4.4 33.1 1.0
C2D A:HEM602 4.4 31.8 1.0
N29 A:5L8601 4.4 34.5 1.0
N28 A:5L8601 4.4 32.8 1.0
N A:GLY472 4.9 27.8 1.0
N A:ILE471 4.9 25.1 1.0

Reference:

J.D.Tyndall, M.Sabherwal, A.A.Sagatova, M.V.Keniya, J.Negroni, R.K.Wilson, M.A.Woods, K.Tietjen, B.C.Monk. Structural and Functional Elucidation of Yeast Lanosterol 14 Alpha-Demethylase in Complex with Agrochemical Antifungals. Plos One V. 11 67485 2016.
ISSN: ESSN 1932-6203
PubMed: 27907120
DOI: 10.1371/JOURNAL.PONE.0167485
Page generated: Mon Aug 5 23:35:58 2024

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