Iron in PDB 5l1v: X-Ray Structure of M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F

All present enzymatic activity of X-Ray Structure of M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F:
1.14.19.8;

The structure of X-Ray Structure of M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1v 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)	45.69 / 2.12
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.563, 164.234, 82.970, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.5

The binding sites of Iron atom in the X-Ray Structure of M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F (pdb code 5l1v). 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 M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F, PDB code: 5l1v:

Iron binding site 1 out of 1 in the X-Ray Structure of M81C 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 M81C Mutant of Cytochrome P450 Pntm with Pentalenolactone F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:14.7 occ:1.00 FE A:HEM402 0.0 14.7 1.0 NB A:HEM402 2.1 14.9 1.0 ND A:HEM402 2.1 15.3 1.0 NC A:HEM402 2.1 15.0 1.0 NA A:HEM402 2.1 14.3 1.0 SG A:CYS347 2.5 12.7 1.0 C4B A:HEM402 3.1 17.4 1.0 C1B A:HEM402 3.1 14.4 1.0 C1C A:HEM402 3.1 12.4 1.0 C4A A:HEM402 3.1 13.9 1.0 C4D A:HEM402 3.1 15.8 1.0 C1D A:HEM402 3.1 15.8 1.0 C4C A:HEM402 3.1 12.6 1.0 C1A A:HEM402 3.1 16.3 1.0 O A:HOH598 3.3 17.5 1.0 CB A:CYS347 3.4 8.2 1.0 CHC A:HEM402 3.4 14.7 1.0 CHB A:HEM402 3.4 10.7 1.0 CHD A:HEM402 3.5 10.1 1.0 CHA A:HEM402 3.5 12.0 1.0 CA A:CYS347 4.0 13.0 1.0 C3B A:HEM402 4.3 17.8 1.0 C2B A:HEM402 4.3 11.1 1.0 C2C A:HEM402 4.3 12.5 1.0 C3C A:HEM402 4.3 16.5 1.0 C3D A:HEM402 4.3 16.0 1.0 C3A A:HEM402 4.3 16.2 1.0 C2D A:HEM402 4.3 14.7 1.0 C2A A:HEM402 4.4 16.1 1.0 C1 A:7PF401 4.6 10.2 1.0 N A:ILE348 4.6 11.4 1.0 C A:CYS347 4.7 13.8 1.0 N A:GLY349 4.7 12.2 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