Iron in PDB 7shi: Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S

The structure of Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S, PDB code: 7shi was solved by J.A.Amaya, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.88 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.458, 68.154, 147.529, 90, 90, 90
R / Rfree (%)	19.1 / 25.1

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S (pdb code 7shi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S, PDB code: 7shi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:12.6 occ:1.00 FE A:HEM401 0.0 12.6 1.0 NC A:HEM401 2.0 11.7 1.0 ND A:HEM401 2.0 12.3 1.0 NA A:HEM401 2.0 12.1 1.0 NB A:HEM401 2.1 12.2 1.0 SG A:CYS345 2.3 13.2 1.0 C1C A:HEM401 3.0 10.8 1.0 C4D A:HEM401 3.1 14.5 1.0 C4C A:HEM401 3.1 15.0 1.0 C1A A:HEM401 3.1 13.5 1.0 C4A A:HEM401 3.1 11.9 1.0 C4B A:HEM401 3.1 10.9 1.0 C1B A:HEM401 3.1 12.0 1.0 C1D A:HEM401 3.1 14.7 1.0 HO2 A:4UH402 3.3 29.4 1.0 CB A:CYS345 3.3 12.7 1.0 O15 A:4UH402 3.3 24.5 1.0 CHC A:HEM401 3.4 11.4 1.0 CHA A:HEM401 3.4 12.5 1.0 CHB A:HEM401 3.4 14.1 1.0 CHD A:HEM401 3.5 12.9 1.0 H17 A:4UH402 3.9 24.4 1.0 CA A:CYS345 4.0 14.9 1.0 C2C A:HEM401 4.3 12.0 1.0 C3C A:HEM401 4.3 11.1 1.0 C3D A:HEM401 4.3 17.2 1.0 C3B A:HEM401 4.3 12.3 1.0 C3A A:HEM401 4.3 15.9 1.0 C2A A:HEM401 4.3 13.9 1.0 C2B A:HEM401 4.3 11.8 1.0 C2D A:HEM401 4.3 11.9 1.0 C14 A:4UH402 4.5 24.2 1.0 H14 A:4UH402 4.6 28.9 1.0 O A:ALA232 4.6 23.4 1.0 C A:CYS345 4.7 11.4 1.0 H16 A:4UH402 4.7 24.4 1.0 C18 A:4UH402 4.7 20.4 1.0 N A:ILE346 4.7 12.5 1.0 N A:GLY347 4.7 15.1 1.0 CB A:ALA232 5.0 18.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome P450 Amphl From Streptomyces Nodosus and the Structural Basis For Substrate Selectivity in Macrolide Metabolizing P450S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:12.0 occ:1.00 FE B:HEM401 0.0 12.0 1.0 ND B:HEM401 2.0 10.6 1.0 NA B:HEM401 2.1 10.4 1.0 NC B:HEM401 2.1 13.0 1.0 NB B:HEM401 2.1 11.4 1.0 SG B:CYS345 2.3 12.3 1.0 C4D B:HEM401 3.0 12.7 1.0 C1D B:HEM401 3.0 14.6 1.0 C1A B:HEM401 3.1 13.6 1.0 C1C B:HEM401 3.1 13.8 1.0 C4C B:HEM401 3.1 11.9 1.0 C4B B:HEM401 3.1 11.8 1.0 C1B B:HEM401 3.1 12.1 1.0 C4A B:HEM401 3.1 8.2 1.0 O15 B:4UH402 3.2 25.7 1.0 HO2 B:4UH402 3.2 30.8 1.0 CB B:CYS345 3.3 11.4 1.0 CHA B:HEM401 3.4 12.8 1.0 CHC B:HEM401 3.4 13.8 1.0 CHD B:HEM401 3.5 13.5 1.0 CHB B:HEM401 3.5 13.0 1.0 H17 B:4UH402 3.9 19.7 1.0 CA B:CYS345 4.0 12.7 1.0 C3D B:HEM401 4.2 13.8 1.0 C2D B:HEM401 4.2 14.3 1.0 C2B B:HEM401 4.3 12.2 1.0 C2C B:HEM401 4.3 13.5 1.0 C2A B:HEM401 4.3 11.6 1.0 C3B B:HEM401 4.3 15.7 1.0 C3C B:HEM401 4.3 12.2 1.0 C3A B:HEM401 4.3 13.5 1.0 C14 B:4UH402 4.4 20.0 1.0 H14 B:4UH402 4.4 23.9 1.0 O B:ALA232 4.6 20.6 1.0 C B:CYS345 4.7 11.3 1.0 N B:GLY347 4.7 14.4 1.0 N B:ILE346 4.7 12.5 1.0 C18 B:4UH402 4.8 16.5 1.0 H16 B:4UH402 4.9 19.7 1.0 CB B:ALA232 4.9 16.5 1.0

J.A.Amaya, D.C.Lamb, S.L.Kelly, P.Caffrey, V.C.Murarka, T.L.Poulos. Structural Analysis of P450 Amphl From Streptomyces Nodosus Provides Insights Into Substrate Selectivity of Polyene Macrolide Antibiotic Biosynthetic P450S. J.Biol.Chem. V. 298 01746 2022.
ISSN: ESSN 1083-351X
PubMed: 35189143
DOI: 10.1016/J.JBC.2022.101746