Iron in PDB 7ccf: Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej

The structure of Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej, PDB code: 7ccf was solved by S.Dong, L.Du, S.Y.Li, Y.G.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.28 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.552, 86.552, 122.431, 90, 90, 90
R / Rfree (%)	19.7 / 24.9

The binding sites of Iron atom in the Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej (pdb code 7ccf). 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 Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej, PDB code: 7ccf:

Iron binding site 1 out of 1 in the Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:44.2 occ:1.00 FE A:HEM501 0.0 44.2 1.0 NC A:HEM501 2.1 44.0 1.0 NA A:HEM501 2.1 37.9 1.0 ND A:HEM501 2.1 36.0 1.0 NB A:HEM501 2.1 41.8 1.0 SG A:CYS376 2.9 52.9 1.0 C4C A:HEM501 3.0 45.4 1.0 C1C A:HEM501 3.1 42.2 1.0 C1B A:HEM501 3.1 37.8 1.0 C1D A:HEM501 3.1 35.9 1.0 C4A A:HEM501 3.1 35.4 1.0 C1A A:HEM501 3.1 32.5 1.0 C4D A:HEM501 3.1 35.0 1.0 C4B A:HEM501 3.1 42.9 1.0 CB A:CYS376 3.3 46.8 1.0 CHD A:HEM501 3.4 41.8 1.0 CHB A:HEM501 3.4 35.6 1.0 CHC A:HEM501 3.4 40.1 1.0 CHA A:HEM501 3.4 33.5 1.0 C12 A:FW6502 3.7 33.0 1.0 CA A:CYS376 3.9 41.5 1.0 C11 A:FW6502 4.0 33.1 1.0 C3C A:HEM501 4.2 43.8 1.0 C2C A:HEM501 4.3 40.6 1.0 C2B A:HEM501 4.3 37.8 1.0 C3A A:HEM501 4.3 29.8 1.0 C2D A:HEM501 4.3 33.1 1.0 C2A A:HEM501 4.3 28.6 1.0 C3D A:HEM501 4.3 32.8 1.0 C3B A:HEM501 4.3 43.0 1.0 N A:LEU377 4.6 50.0 1.0 C A:CYS376 4.7 45.0 1.0 CB A:ALA265 4.9 43.3 1.0 O A:ALA265 4.9 51.4 1.0 OG1 A:THR269 4.9 35.5 1.0

S.Dong, J.F.Chen, X.W.Zhang, C.You, F.Guo, X.Wang, X.B.Wan, S.J.Liu, S.Y.Li, L.Du, Y.G.Feng. Mechanism Insights on Steroselective Oxidation of Phosphorylated Ethylphenols with Cytochrome P450 Crej Appl.Environ.Microbiol. 2021.
ISSN: ESSN 1098-5336