Iron in PDB 5l1s: X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F

All present enzymatic activity of X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F:
1.14.19.8;

The structure of X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1s was solved by L.Duan, G.Jogl, D.E.Cane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.60 / 2.08
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.595, 164.145, 82.535, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19.3

The binding sites of Iron atom in the X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F (pdb code 5l1s). 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 X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1s:

Iron binding site 1 out of 1 in the X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of F232L Mutant of Cytochrome P450 Pntm with Pentalenolactone F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:14.3 occ:1.00 FE A:HEM402 0.0 14.3 1.0 ND A:HEM402 2.1 12.2 1.0 NB A:HEM402 2.1 10.4 1.0 NC A:HEM402 2.1 12.4 1.0 NA A:HEM402 2.1 7.4 1.0 SG A:CYS347 2.4 12.8 1.0 C4B A:HEM402 3.0 10.5 1.0 C1D A:HEM402 3.1 12.7 1.0 C1C A:HEM402 3.1 10.1 1.0 C4D A:HEM402 3.1 10.9 1.0 C4C A:HEM402 3.1 11.0 1.0 C1A A:HEM402 3.1 8.8 1.0 C1B A:HEM402 3.1 12.0 1.0 C4A A:HEM402 3.1 10.8 1.0 O A:HOH595 3.4 16.9 1.0 CHC A:HEM402 3.4 10.4 1.0 CHD A:HEM402 3.4 8.8 1.0 CHA A:HEM402 3.5 12.2 1.0 CHB A:HEM402 3.5 10.9 1.0 CB A:CYS347 3.5 9.5 1.0 CA A:CYS347 4.0 11.2 1.0 C2D A:HEM402 4.3 12.4 1.0 C3D A:HEM402 4.3 15.8 1.0 C3B A:HEM402 4.3 15.4 1.0 C2C A:HEM402 4.3 9.3 1.0 C3C A:HEM402 4.3 12.7 1.0 C2B A:HEM402 4.3 13.0 1.0 C3A A:HEM402 4.3 14.6 1.0 C2A A:HEM402 4.3 13.8 1.0 C1 A:7PF401 4.5 10.3 1.0 N A:ILE348 4.7 10.7 1.0 C A:CYS347 4.7 9.4 1.0 N A:GLY349 4.7 11.0 1.0

L.Duan, G.Jogl, D.E.Cane. The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc. V. 138 12678 2016.
ISSN: ESSN 1520-5126
PubMed: 27588339
DOI: 10.1021/JACS.6B08610