Iron in PDB 5wk9: R186AP450CAM with Cn and Camphor

All present enzymatic activity of R186AP450CAM with Cn and Camphor:
1.14.15.1;

The structure of R186AP450CAM with Cn and Camphor, PDB code: 5wk9 was solved by T.L.Poulos, D.Batabyal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.31 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.950, 58.860, 57.280, 90.00, 104.99, 90.00
R / Rfree (%)	16.3 / 21.5

The structure of R186AP450CAM with Cn and Camphor also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the R186AP450CAM with Cn and Camphor (pdb code 5wk9). 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 R186AP450CAM with Cn and Camphor, PDB code: 5wk9:

Iron binding site 1 out of 1 in the R186AP450CAM with Cn and Camphor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R186AP450CAM with Cn and Camphor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.6 occ:1.00 FE A:HEM501 0.0 18.6 1.0 C A:CYN502 1.9 31.8 1.0 NC A:HEM501 2.2 26.9 1.0 NA A:HEM501 2.2 16.1 1.0 ND A:HEM501 2.2 20.1 1.0 NB A:HEM501 2.2 17.5 1.0 SG A:CYS357 2.3 17.9 1.0 N A:CYN502 2.9 29.0 1.0 C4D A:HEM501 3.1 14.3 1.0 C1A A:HEM501 3.1 14.2 1.0 C1C A:HEM501 3.1 20.9 1.0 C4B A:HEM501 3.2 15.3 1.0 C1D A:HEM501 3.2 23.0 1.0 C4C A:HEM501 3.2 22.3 1.0 C1B A:HEM501 3.2 19.4 1.0 C4A A:HEM501 3.2 14.8 1.0 CHA A:HEM501 3.4 11.8 1.0 CHC A:HEM501 3.4 23.3 1.0 CB A:CYS357 3.4 18.5 1.0 CHD A:HEM501 3.5 25.0 1.0 CHB A:HEM501 3.6 18.8 1.0 CA A:CYS357 4.2 15.5 1.0 C2C A:HEM501 4.3 16.2 1.0 C3D A:HEM501 4.4 21.2 1.0 C2A A:HEM501 4.4 12.3 1.0 C3C A:HEM501 4.4 18.2 1.0 C3B A:HEM501 4.4 12.3 1.0 C2D A:HEM501 4.4 20.2 1.0 C2B A:HEM501 4.4 16.6 1.0 C3A A:HEM501 4.4 12.7 1.0 C5 A:CAM503 4.5 30.1 1.0 N A:GLY359 4.6 11.3 1.0 OG1 A:THR252 4.8 27.7 0.3 C9 A:CAM503 4.8 29.5 1.0 C A:CYS357 4.9 14.4 1.0 N A:LEU358 4.9 12.7 1.0 CA A:GLY359 4.9 19.6 1.0

D.Batabyal, L.S.Richards, T.L.Poulos. Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc. V. 139 13193 2017.
ISSN: ESSN 1520-5126
PubMed: 28823160
DOI: 10.1021/JACS.7B07656