Iron in PDB 8f91: Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis

The structure of Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis, PDB code: 8f91 was solved by K.A.Ireland, K.M.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.62 / 2.80
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	179.05, 179.05, 179.05, 90, 90, 90
R / Rfree (%)	24.2 / 28.4

The binding sites of Iron atom in the Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis (pdb code 8f91). 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 Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis, PDB code: 8f91:

Iron binding site 1 out of 1 in the Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxyb, A Cytochrome P450 Involved in Keratinimicin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:47.0 occ:1.00 FE A:HEM401 0.0 47.0 1.0 ND A:HEM401 1.9 59.8 1.0 NA A:HEM401 2.0 40.5 1.0 NC A:HEM401 2.1 55.9 1.0 NB A:HEM401 2.1 62.7 1.0 SG A:CYS347 2.6 52.4 1.0 C4D A:HEM401 2.9 52.3 1.0 C1D A:HEM401 2.9 51.4 1.0 C1A A:HEM401 2.9 46.5 1.0 C4A A:HEM401 3.0 49.8 1.0 C4C A:HEM401 3.0 49.1 1.0 C4B A:HEM401 3.1 61.6 1.0 C1B A:HEM401 3.1 58.7 1.0 C1C A:HEM401 3.1 50.1 1.0 CHA A:HEM401 3.3 59.2 1.0 CHD A:HEM401 3.4 47.8 1.0 CHB A:HEM401 3.5 40.1 1.0 CHC A:HEM401 3.5 60.1 1.0 CB A:CYS347 3.6 53.8 1.0 C3D A:HEM401 4.1 43.6 1.0 C2D A:HEM401 4.1 53.4 1.0 C2A A:HEM401 4.1 40.7 1.0 CA A:CYS347 4.2 50.7 1.0 C3A A:HEM401 4.2 54.6 1.0 C3C A:HEM401 4.3 55.1 1.0 ND2 A:ASN240 4.3 58.4 1.0 C2C A:HEM401 4.3 56.0 1.0 C2B A:HEM401 4.3 55.1 1.0 C3B A:HEM401 4.3 55.5 1.0 CB A:ALA236 4.4 52.0 1.0 O A:ALA236 4.5 69.0 1.0 C A:CYS347 5.0 54.0 1.0

N.Hauser, K.A.Ireland, V.T.Chioti, C.C.Forneris, K.M.Davis, M.R.Seyedsayamdost. Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated By the Structure and Selectivity of Oxyb. Acs Chem.Biol. 2023.
ISSN: ESSN 1554-8937
PubMed: 37405871
DOI: 10.1021/ACSCHEMBIO.3C00192