Iron in PDB 7ayx: Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998

The structure of Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998, PDB code: 7ayx was solved by S.Schneider, F.Schaefers, T.A.M.Gulder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.32 / 2.53
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.263, 149.263, 107.188, 90, 90, 120
R / Rfree (%)	23.5 / 26.4

The binding sites of Iron atom in the Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998 (pdb code 7ayx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998, PDB code: 7ayx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:37.8 occ:1.00 FE A:HEM501 0.0 37.8 1.0 ND A:HEM501 1.9 37.9 1.0 NA A:HEM501 2.0 37.4 1.0 NC A:HEM501 2.1 36.8 1.0 NB A:HEM501 2.1 37.3 1.0 SG A:CYS355 2.4 36.7 1.0 C4D A:HEM501 2.9 37.6 1.0 C1D A:HEM501 2.9 37.5 1.0 C1A A:HEM501 3.0 37.5 1.0 C4C A:HEM501 3.0 36.9 1.0 C4A A:HEM501 3.0 37.3 1.0 C4B A:HEM501 3.1 37.4 1.0 C1B A:HEM501 3.1 37.4 1.0 C1C A:HEM501 3.1 36.8 1.0 CHA A:HEM501 3.3 37.6 1.0 CHD A:HEM501 3.4 37.1 1.0 CB A:CYS355 3.4 36.5 1.0 CHB A:HEM501 3.5 37.3 1.0 CHC A:HEM501 3.5 37.2 1.0 C3D A:HEM501 4.1 37.4 1.0 CA A:CYS355 4.1 36.6 1.0 C2D A:HEM501 4.1 37.3 1.0 C2A A:HEM501 4.2 37.7 1.0 C3A A:HEM501 4.2 37.3 1.0 C3C A:HEM501 4.2 36.9 1.0 C2C A:HEM501 4.3 36.6 1.0 C2B A:HEM501 4.3 37.6 1.0 C3B A:HEM501 4.3 37.6 1.0 O A:ALA245 4.4 46.0 1.0 CB A:ALA245 4.7 45.3 1.0 N A:GLY357 4.8 34.0 1.0 C A:ALA245 4.8 45.4 1.0 C A:CYS355 4.8 36.6 1.0 N A:LEU356 4.9 35.7 1.0

Iron binding site 2 out of 2 in the Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Cytochrome P450 Aryc From Streptomyces Roseosporus Nrrl 15998 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:35.6 occ:1.00 FE B:HEM501 0.0 35.6 1.0 ND B:HEM501 1.9 35.7 1.0 NA B:HEM501 2.0 35.8 1.0 NC B:HEM501 2.1 34.9 1.0 NB B:HEM501 2.1 35.6 1.0 SG B:CYS355 2.5 37.3 1.0 C4D B:HEM501 2.9 36.0 1.0 C1D B:HEM501 2.9 35.5 1.0 C1A B:HEM501 3.0 36.0 1.0 C4C B:HEM501 3.0 35.1 1.0 C4A B:HEM501 3.0 35.9 1.0 C1B B:HEM501 3.1 35.8 1.0 C4B B:HEM501 3.1 35.8 1.0 C1C B:HEM501 3.1 35.0 1.0 CHA B:HEM501 3.3 36.0 1.0 CHD B:HEM501 3.4 35.4 1.0 CHB B:HEM501 3.5 35.8 1.0 CB B:CYS355 3.5 36.4 1.0 CHC B:HEM501 3.5 35.4 1.0 C3D B:HEM501 4.1 36.1 1.0 C2D B:HEM501 4.1 35.7 1.0 C2A B:HEM501 4.2 36.2 1.0 C3A B:HEM501 4.2 35.9 1.0 C3C B:HEM501 4.2 35.2 1.0 CA B:CYS355 4.3 36.4 1.0 O B:ALA245 4.3 45.6 1.0 C2C B:HEM501 4.3 35.0 1.0 C2B B:HEM501 4.3 36.2 1.0 C3B B:HEM501 4.4 36.4 1.0 CB B:ALA245 4.7 45.1 1.0 C B:ALA245 4.8 45.1 1.0 N B:GLY357 4.9 35.6 1.0

H.Aldemir, S.Shu, F.Schaefers, H.Hong, R.Richarz, S.Harteis, M.Einsiedler, T.M.Milzarek, S.Schneider, T.A.M.Gulder. Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 Aryc Chemistry 2021.
ISSN: ISSN 0947-6539