Iron in PDB 7ryb: S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole

The structure of S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole, PDB code: 7ryb was solved by D.O.Graham, R.K.Wilson, Y.N.Ruma, M.V.Keniya, J.D.Tyndall, B.C.Monk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.75 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.18, 67.3, 81.33, 90, 99.79, 90
R / Rfree (%)	20.3 / 25.1

The structure of S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Iron atom in the S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole (pdb code 7ryb). 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 S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole, PDB code: 7ryb:

Iron binding site 1 out of 1 in the S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of S. Cerevisiae CYP51 Y140H/I471T - Double Mutant Complexed with Voriconazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:35.3 occ:1.00 FE A:HEM601 0.0 35.3 1.0 NB A:HEM601 2.0 42.1 1.0 NA A:HEM601 2.0 45.5 1.0 NC A:HEM601 2.1 42.1 1.0 ND A:HEM601 2.1 40.5 1.0 N8 A:VOR602 2.2 42.5 1.0 SG A:CYS470 2.7 42.8 1.0 C21 A:VOR602 2.9 43.3 1.0 C4B A:HEM601 3.0 41.0 1.0 C1A A:HEM601 3.0 46.5 1.0 C4A A:HEM601 3.0 42.8 1.0 C1C A:HEM601 3.1 45.1 1.0 C1D A:HEM601 3.1 44.3 1.0 C1B A:HEM601 3.1 40.3 1.0 C4C A:HEM601 3.1 42.0 1.0 C4D A:HEM601 3.1 36.0 1.0 CB A:CYS470 3.2 40.4 1.0 CHC A:HEM601 3.4 44.2 1.0 C25 A:VOR602 3.4 42.2 1.0 CHB A:HEM601 3.5 39.0 1.0 CHA A:HEM601 3.5 41.0 1.0 CHD A:HEM601 3.5 43.6 1.0 CA A:CYS470 4.0 45.0 1.0 N5 A:VOR602 4.2 44.4 1.0 C3B A:HEM601 4.2 40.5 1.0 C3A A:HEM601 4.2 38.2 1.0 C2A A:HEM601 4.3 41.0 1.0 C2B A:HEM601 4.3 40.0 1.0 C2D A:HEM601 4.3 44.9 1.0 C2C A:HEM601 4.3 44.8 1.0 C3D A:HEM601 4.3 41.7 1.0 C3C A:HEM601 4.3 44.8 1.0 N7 A:VOR602 4.4 47.8 1.0 C A:CYS470 4.9 44.7 1.0 N A:GLY472 4.9 44.8 1.0 N A:THR471 5.0 43.0 1.0

D.O.Graham, R.K.Wilson, Y.N.Ruma, M.V.Keniya, J.D.Tyndall, B.C.Monk. Structural Insights Into the Azole Resistance of the Candida Albicans Darlington Strain Using Saccharomyces Cerevisiae Lanosterol 14ALPHA-Demethylase As A Surrogate To Be Published.