Iron in PDB 8euh: Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol

The structure of Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol, PDB code: 8euh was solved by J.A.Gable, A.H.Follmer, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.99 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.12, 68.12, 455.406, 90, 90, 120
R / Rfree (%)	17.9 / 21

The binding sites of Iron atom in the Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol (pdb code 8euh). 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 Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol, PDB code: 8euh:

Iron binding site 1 out of 1 in the Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450TERP (CYP108A1) Bound to Alpha-Terpineol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.6 occ:1.00 FE A:HEM501 0.0 24.6 1.0 NA A:HEM501 1.9 19.1 1.0 ND A:HEM501 2.0 28.9 1.0 NC A:HEM501 2.0 19.3 1.0 NB A:HEM501 2.1 24.8 1.0 SG A:CYS377 2.4 29.2 1.0 C1D A:HEM501 3.0 21.1 1.0 C4A A:HEM501 3.0 29.3 1.0 C1A A:HEM501 3.0 28.8 1.0 C4D A:HEM501 3.0 22.1 1.0 C4C A:HEM501 3.0 26.7 1.0 C1B A:HEM501 3.0 21.7 1.0 C1C A:HEM501 3.1 29.5 1.0 C4B A:HEM501 3.1 22.7 1.0 CB A:CYS377 3.3 29.4 1.0 CHD A:HEM501 3.4 25.2 1.0 CHB A:HEM501 3.4 23.2 1.0 CHA A:HEM501 3.5 27.3 1.0 CHC A:HEM501 3.5 27.4 1.0 CA A:CYS377 3.9 28.3 1.0 C3A A:HEM501 4.1 23.1 1.0 C2A A:HEM501 4.2 20.8 1.0 C2C A:HEM501 4.2 20.5 1.0 C3C A:HEM501 4.2 25.2 1.0 C01 A:XGE502 4.2 36.3 1.0 C2D A:HEM501 4.3 26.2 1.0 C3D A:HEM501 4.3 25.0 1.0 C2B A:HEM501 4.3 24.1 1.0 CB A:ALA267 4.3 28.6 1.0 C3B A:HEM501 4.4 21.2 1.0 O A:ALA267 4.6 28.8 1.0 C A:CYS377 4.6 28.1 1.0 N A:GLY379 4.6 28.2 1.0 N A:LEU378 4.7 28.6 1.0 C A:ALA267 5.0 28.8 1.0 CA A:GLY379 5.0 28.2 1.0

J.A.Gable, T.L.Poulos, A.H.Follmer. Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450TERP (CYP108A1). J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 36779970
DOI: 10.1021/JACS.2C12388