Iron in PDB 8dl4: S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor

The structure of S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor, PDB code: 8dl4 was solved by 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)	43.67 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.392, 64.379, 81.003, 90, 98.3, 90
R / Rfree (%)	19.1 / 21.1

The structure of S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Iron atom in the S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor (pdb code 8dl4). 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 Courmarin-Containing Inhibitor, PDB code: 8dl4:

Iron binding site 1 out of 1 in the S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor


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 Courmarin-Containing Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:28.1 occ:1.00 FE A:HEM601 0.0 28.1 1.0 N2 A:SKX602 2.0 27.1 1.0 NC A:HEM601 2.0 27.1 1.0 NA A:HEM601 2.0 26.4 1.0 NB A:HEM601 2.0 26.0 1.0 ND A:HEM601 2.0 25.6 1.0 SG A:CYS470 2.4 29.2 1.0 C3 A:SKX602 3.0 27.0 1.0 C4C A:HEM601 3.0 27.6 1.0 C4A A:HEM601 3.0 28.6 1.0 C1D A:HEM601 3.0 28.2 1.0 C1B A:HEM601 3.1 26.0 1.0 C1 A:SKX602 3.1 27.8 1.0 C4B A:HEM601 3.1 25.8 1.0 C1C A:HEM601 3.1 26.4 1.0 C1A A:HEM601 3.1 27.5 1.0 C4D A:HEM601 3.1 28.2 1.0 CHD A:HEM601 3.4 26.4 1.0 CB A:CYS470 3.4 26.6 1.0 CHB A:HEM601 3.4 26.9 1.0 CHC A:HEM601 3.5 27.2 1.0 CHA A:HEM601 3.5 26.2 1.0 N4 A:SKX602 4.1 30.5 1.0 CA A:CYS470 4.1 29.1 1.0 N5 A:SKX602 4.2 28.7 1.0 C3C A:HEM601 4.2 28.3 1.0 C3A A:HEM601 4.2 28.8 1.0 C2D A:HEM601 4.2 30.9 1.0 C2C A:HEM601 4.3 26.4 1.0 C3B A:HEM601 4.3 28.1 1.0 C2A A:HEM601 4.3 27.1 1.0 C2B A:HEM601 4.3 29.0 1.0 C3D A:HEM601 4.3 27.3 1.0 N A:GLY472 5.0 30.1 1.0

R.Benhamou, M.V.Keniya, Y.N.Ruma, M.Fridman, J.D.Tyndall, B.C.Monk. S. Cerevisiae CYP51 Complexed with Courmarin-Containing Inhibitor To Be Published.