Iron in PDB 7ryx: S. Cerevisiae CYP51 Complexed with Vt-1129

The structure of S. Cerevisiae CYP51 Complexed with Vt-1129, PDB code: 7ryx was solved by Y.N.Ruma, A.Sagatova, 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)	45.19 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.402, 67.978, 80.304, 90, 99.38, 90
R / Rfree (%)	23.4 / 26.8

The structure of S. Cerevisiae CYP51 Complexed with Vt-1129 also contains other interesting chemical elements:

Fluorine

(F)

7 atoms

The binding sites of Iron atom in the S. Cerevisiae CYP51 Complexed with Vt-1129 (pdb code 7ryx). 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-1129, PDB code: 7ryx:

Iron binding site 1 out of 1 in the S. Cerevisiae CYP51 Complexed with Vt-1129


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-1129 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.0 occ:1.00 FE A:HEM601 0.0 43.0 1.0 NA A:HEM601 2.1 41.3 1.0 ND A:HEM601 2.1 45.3 1.0 NC A:HEM601 2.1 41.8 1.0 NB A:HEM601 2.1 43.2 1.0 N26 A:81H602 2.1 42.9 1.0 SG A:CYS470 2.4 41.5 1.0 C1D A:HEM601 3.0 47.4 1.0 C1B A:HEM601 3.1 45.5 1.0 C4C A:HEM601 3.1 46.2 1.0 C1A A:HEM601 3.1 48.7 1.0 C4A A:HEM601 3.1 48.7 1.0 C4D A:HEM601 3.1 48.0 1.0 N25 A:81H602 3.1 45.9 1.0 C4B A:HEM601 3.1 46.7 1.0 C1C A:HEM601 3.1 46.4 1.0 C27 A:81H602 3.1 44.3 1.0 CB A:CYS470 3.3 40.0 1.0 CHD A:HEM601 3.4 46.5 1.0 CHB A:HEM601 3.4 43.3 1.0 CHA A:HEM601 3.5 46.2 1.0 CHC A:HEM601 3.5 49.9 1.0 CA A:CYS470 4.1 44.3 1.0 N24 A:81H602 4.2 46.6 1.0 N23 A:81H602 4.2 48.9 1.0 C2D A:HEM601 4.3 51.6 1.0 C2B A:HEM601 4.3 49.0 1.0 C3C A:HEM601 4.3 45.3 1.0 C3D A:HEM601 4.3 49.0 1.0 C2A A:HEM601 4.3 48.6 1.0 C3A A:HEM601 4.3 44.0 1.0 C2C A:HEM601 4.3 48.9 1.0 C3B A:HEM601 4.3 43.5 1.0 N A:GLY472 4.8 42.8 1.0 N A:ILE471 4.9 43.6 1.0 C A:CYS470 5.0 43.9 1.0

Y.N.Ruma, A.Sagatova, M.V.Keniya, J.D.Tyndall, B.C.Monk. S. Cerevisiae CYP51 Complexed with Vt-1129 To Be Published.