Iron in PDB 5ul0: S. Cerevisiae CYP51 Complexed with Vt-1161

The structure of S. Cerevisiae CYP51 Complexed with Vt-1161, PDB code: 5ul0 was solved by J.D.Tyndall, M.V.Keniya, M.Sabherwal, B.C.Monk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.97 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.800, 67.140, 81.430, 90.00, 99.45, 90.00
R / Rfree (%)	20.4 / 25.3

The structure of S. Cerevisiae CYP51 Complexed with Vt-1161 also contains other interesting chemical elements:

Fluorine

(F)

7 atoms

The binding sites of Iron atom in the S. Cerevisiae CYP51 Complexed with Vt-1161 (pdb code 5ul0). 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 Complexed with Vt-1161, PDB code: 5ul0:

Iron binding site 1 out of 1 in the S. Cerevisiae CYP51 Complexed with Vt-1161


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 Complexed with Vt-1161 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:28.7 occ:1.00 FE A:HEM601 0.0 28.7 1.0 NA A:HEM601 2.0 32.9 1.0 NB A:HEM601 2.0 31.2 1.0 NC A:HEM601 2.1 31.1 1.0 ND A:HEM601 2.1 31.8 1.0 NAG A:VT1602 2.1 37.3 1.0 SG A:CYS470 2.5 30.4 1.0 NAF A:VT1602 2.9 31.0 1.0 C4A A:HEM601 3.0 31.5 1.0 C4B A:HEM601 3.0 28.3 1.0 C1A A:HEM601 3.0 31.4 1.0 C1B A:HEM601 3.1 27.2 1.0 C1C A:HEM601 3.1 33.0 1.0 C4C A:HEM601 3.1 29.6 1.0 C4D A:HEM601 3.1 26.3 1.0 C1D A:HEM601 3.1 31.6 1.0 NAH A:VT1602 3.1 36.6 1.0 CB A:CYS470 3.4 27.3 1.0 CHB A:HEM601 3.4 27.6 1.0 CHA A:HEM601 3.4 27.7 1.0 CHC A:HEM601 3.4 31.8 1.0 CHD A:HEM601 3.5 30.3 1.0 CAE A:VT1602 4.1 28.3 1.0 CA A:CYS470 4.1 28.8 1.0 NAD A:VT1602 4.2 30.9 1.0 C3A A:HEM601 4.2 26.9 1.0 C3B A:HEM601 4.2 31.8 1.0 C2A A:HEM601 4.3 31.3 1.0 C2B A:HEM601 4.3 32.4 1.0 C3C A:HEM601 4.3 28.7 1.0 C2C A:HEM601 4.3 31.3 1.0 C2D A:HEM601 4.3 34.0 1.0 C3D A:HEM601 4.3 31.2 1.0 N A:GLY472 4.9 27.7 1.0

B.C.Monk, M.Sabherwal, J.D.A.Tyndall. Structure of Pre-Clinical Drug Vt-1161 with Saccharomyces Cerevisiae Lanosterol 14ALPHA Demthylase To Be Published.