Iron in PDB 6m4q: Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure

The structure of Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure, PDB code: 6m4q was solved by G.Sun, C.Hu, Q.Mei, M.Luo, X.Chen, Z.Li, Y.Liu, Z.Deng, Z.Zhang, Y.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 1.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.073, 145.716, 90.447, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 17

The binding sites of Iron atom in the Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure (pdb code 6m4q). 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 Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure, PDB code: 6m4q:

Iron binding site 1 out of 1 in the Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 Monooxygenase STVP2 Substrate-Free Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.1 occ:1.00 FE A:HEM501 0.0 14.1 1.0 ND A:HEM501 2.0 14.1 1.0 NC A:HEM501 2.0 13.7 1.0 NB A:HEM501 2.0 13.5 1.0 NA A:HEM501 2.0 12.9 1.0 O A:HOH762 2.2 20.1 1.0 SG A:CYS349 2.3 14.7 1.0 C4A A:HEM501 3.0 13.3 1.0 C1B A:HEM501 3.0 12.7 1.0 C4D A:HEM501 3.0 13.8 1.0 C4C A:HEM501 3.1 13.2 1.0 C1D A:HEM501 3.1 14.4 1.0 C1C A:HEM501 3.1 13.4 1.0 C4B A:HEM501 3.1 12.7 1.0 C1A A:HEM501 3.1 13.2 1.0 CB A:CYS349 3.3 14.5 1.0 CHB A:HEM501 3.4 13.3 1.0 CHC A:HEM501 3.4 12.8 1.0 CHD A:HEM501 3.4 13.9 1.0 CHA A:HEM501 3.5 13.8 1.0 CA A:CYS349 4.0 13.9 1.0 O A:HOH931 4.1 39.0 1.0 O A:ALA239 4.2 19.3 1.0 C2C A:HEM501 4.3 14.3 1.0 C2D A:HEM501 4.3 14.3 1.0 C3C A:HEM501 4.3 13.5 1.0 C3D A:HEM501 4.3 14.1 1.0 C3B A:HEM501 4.3 13.1 1.0 C3A A:HEM501 4.3 13.8 1.0 C2B A:HEM501 4.3 13.5 1.0 C2A A:HEM501 4.3 13.3 1.0 O A:HOH732 4.5 36.9 1.0 C A:CYS349 4.7 13.8 1.0 N A:LEU350 4.7 14.5 1.0 N A:GLY351 4.8 14.3 1.0

G.Sun, C.Hu, Q.Mei, M.Luo, X.Chen, Z.Li, Y.Liu, Z.Deng, Z.Zhang, Y.Sun. Uncovering the Cytochrome P450-Catalyzed Methylenedioxy Bridge Formation in Streptovaricins Biosynthesis. Nat Commun V. 11 4501 2020.
ISSN: ESSN 2041-1723
PubMed: 32908132
DOI: 10.1038/S41467-020-18336-5