Iron in PDB 5l1r: X-Ray Structure of the Substrate-Free Cytochrome P450 Pntm

All present enzymatic activity of X-Ray Structure of the Substrate-Free Cytochrome P450 Pntm:
1.14.19.8;

The structure of X-Ray Structure of the Substrate-Free Cytochrome P450 Pntm, PDB code: 5l1r 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)	45.65 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	44.456, 164.588, 82.300, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.3

The binding sites of Iron atom in the X-Ray Structure of the Substrate-Free Cytochrome P450 Pntm (pdb code 5l1r). 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 the Substrate-Free Cytochrome P450 Pntm, PDB code: 5l1r:

Iron binding site 1 out of 1 in the X-Ray Structure of the Substrate-Free Cytochrome P450 Pntm


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 the Substrate-Free Cytochrome P450 Pntm within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:11.9 occ:1.00 FE A:HEM501 0.0 11.9 1.0 NB A:HEM501 2.1 7.2 1.0 ND A:HEM501 2.1 9.4 1.0 NA A:HEM501 2.1 8.5 1.0 NC A:HEM501 2.1 8.4 1.0 SG A:CYS347 2.4 9.5 1.0 O A:HOH601 2.9 30.8 1.0 O6 A:BCN502 3.0 47.4 1.0 C1D A:HEM501 3.0 10.9 1.0 C4A A:HEM501 3.1 10.4 1.0 C4C A:HEM501 3.1 9.5 1.0 C1B A:HEM501 3.1 10.7 1.0 C4B A:HEM501 3.1 9.9 1.0 C1C A:HEM501 3.1 8.2 1.0 C1A A:HEM501 3.1 10.5 1.0 C4D A:HEM501 3.1 7.7 1.0 CB A:CYS347 3.3 6.6 1.0 CHD A:HEM501 3.4 9.8 1.0 CHB A:HEM501 3.4 11.1 1.0 CHC A:HEM501 3.4 10.8 1.0 CHA A:HEM501 3.5 10.3 1.0 CA A:CYS347 4.1 6.9 1.0 C3A A:HEM501 4.3 7.6 1.0 C2D A:HEM501 4.3 11.1 1.0 C3C A:HEM501 4.3 8.8 1.0 C2C A:HEM501 4.3 8.3 1.0 C3B A:HEM501 4.3 10.2 1.0 C2B A:HEM501 4.3 8.6 1.0 C2A A:HEM501 4.3 10.8 1.0 C3D A:HEM501 4.3 8.8 1.0 C6 A:BCN502 4.3 45.5 1.0 C A:CYS347 4.7 7.5 1.0 N A:ILE348 4.7 9.8 1.0 O A:PHE232 4.7 13.1 1.0 N A:GLY349 4.8 8.1 1.0 C5 A:BCN502 4.9 44.1 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