Iron in PDB 6m4p: Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure

The structure of Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure, PDB code: 6m4p 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)	19.78 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.638, 87.254, 78.789, 90.00, 112.28, 90.00
R / Rfree (%)	22.2 / 26.9

The binding sites of Iron atom in the Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure (pdb code 6m4p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure, PDB code: 6m4p:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome P450 Monooxygenase STVP2 Substrate-Bound 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-Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:32.6 occ:1.00 FE A:HEM501 0.0 32.6 1.0 ND A:HEM501 1.8 31.4 1.0 NA A:HEM501 2.0 29.9 1.0 NC A:HEM501 2.1 31.6 1.0 NB A:HEM501 2.4 28.8 1.0 C4D A:HEM501 2.8 29.5 0.5 C1D A:HEM501 2.8 30.1 0.9 SG A:CYS349 2.9 35.5 1.0 C1A A:HEM501 2.9 27.6 1.0 C4C A:HEM501 3.0 29.1 1.0 C4A A:HEM501 3.1 29.0 1.0 C1C A:HEM501 3.2 29.8 1.0 CHA A:HEM501 3.2 28.4 0.7 CHD A:HEM501 3.3 33.1 1.0 C1B A:HEM501 3.3 27.5 1.0 C4B A:HEM501 3.3 25.8 1.0 CHB A:HEM501 3.6 31.4 1.0 CHC A:HEM501 3.7 27.4 1.0 CB A:CYS349 3.7 32.6 1.0 C3D A:HEM501 4.1 32.2 1.0 C2D A:HEM501 4.1 32.0 1.0 CAX A:F4O502 4.1 33.1 1.0 C2A A:HEM501 4.1 28.0 1.0 C3A A:HEM501 4.2 30.7 1.0 C3C A:HEM501 4.2 27.2 1.0 CA A:CYS349 4.3 32.7 1.0 C2C A:HEM501 4.3 30.4 1.0 C2B A:HEM501 4.6 27.5 0.6 C3B A:HEM501 4.6 28.2 1.0 OAP A:F4O502 4.6 35.5 1.0 O A:ALA239 4.7 30.4 1.0 CAO A:F4O502 4.9 30.7 1.0 C A:CYS349 4.9 27.6 1.0 N A:GLY351 5.0 32.4 1.0 N A:LEU350 5.0 33.0 1.0

Iron binding site 2 out of 2 in the Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 Monooxygenase STVP2 Substrate-Bound Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:32.4 occ:1.00 FE B:HEM501 0.0 32.4 1.0 ND B:HEM501 1.8 35.4 1.0 NA B:HEM501 2.0 34.0 0.9 NC B:HEM501 2.1 34.0 1.0 NB B:HEM501 2.4 32.2 1.0 O B:HOH694 2.6 31.1 1.0 C4D B:HEM501 2.8 29.4 1.0 C1D B:HEM501 2.8 32.3 0.3 C1A B:HEM501 2.9 29.8 1.0 SG B:CYS349 3.0 35.0 1.0 C4C B:HEM501 3.0 32.5 1.0 C4A B:HEM501 3.1 32.5 1.0 C1C B:HEM501 3.2 31.1 1.0 CHA B:HEM501 3.2 30.5 1.0 CHD B:HEM501 3.3 30.9 1.0 C1B B:HEM501 3.3 28.1 1.0 C4B B:HEM501 3.4 26.3 1.0 CB B:CYS349 3.6 34.3 1.0 CHB B:HEM501 3.6 31.9 0.8 CHC B:HEM501 3.7 27.7 1.0 C3D B:HEM501 4.1 31.8 1.0 C2D B:HEM501 4.1 35.2 1.0 C2A B:HEM501 4.1 32.6 1.0 CA B:CYS349 4.1 33.0 1.0 CAX B:F4O502 4.2 35.9 1.0 C3A B:HEM501 4.2 33.3 1.0 C3C B:HEM501 4.3 35.7 1.0 C2C B:HEM501 4.3 37.0 1.0 C2B B:HEM501 4.6 27.2 1.0 C3B B:HEM501 4.6 27.9 1.0 OAP B:F4O502 4.7 32.2 1.0 O B:ALA239 4.8 39.2 1.0 C B:CYS349 4.8 30.1 1.0 N B:LEU350 4.9 32.5 1.0 CAO B:F4O502 5.0 27.2 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