Iron in PDB 5yhj: Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid

The structure of Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid, PDB code: 5yhj was solved by H.Onoda, O.Shoji, K.Suzuki, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.75 / 2.30
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	58.962, 58.962, 238.348, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.8

The binding sites of Iron atom in the Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid (pdb code 5yhj). 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 P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid, PDB code: 5yhj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:30.7 occ:1.00 FE A:HEM501 0.0 30.7 1.0 O A:HOH605 1.9 22.7 1.0 NB A:HEM501 2.1 47.3 1.0 ND A:HEM501 2.1 49.5 1.0 NA A:HEM501 2.1 71.5 1.0 NC A:HEM501 2.1 43.5 1.0 SG A:CYS359 2.5 36.5 1.0 C1B A:HEM501 3.0 54.0 1.0 C4B A:HEM501 3.0 45.3 1.0 C1D A:HEM501 3.1 45.8 1.0 C4A A:HEM501 3.1 72.3 1.0 C4D A:HEM501 3.1 52.3 1.0 C1C A:HEM501 3.1 42.5 1.0 C1A A:HEM501 3.1 64.0 1.0 C4C A:HEM501 3.1 42.5 1.0 CB A:CYS359 3.2 46.3 1.0 CHB A:HEM501 3.4 65.3 1.0 CHC A:HEM501 3.4 42.9 1.0 CHD A:HEM501 3.4 47.8 1.0 CHA A:HEM501 3.5 60.7 1.0 CA A:CYS359 4.0 49.0 1.0 C3B A:HEM501 4.2 56.2 1.0 C2B A:HEM501 4.2 55.3 1.0 C2D A:HEM501 4.3 44.9 1.0 NE2 A:GLN348 4.3 31.9 1.0 C3D A:HEM501 4.3 49.1 1.0 C3A A:HEM501 4.3 77.7 1.0 C2C A:HEM501 4.3 42.1 1.0 C3C A:HEM501 4.3 38.6 1.0 C2A A:HEM501 4.3 63.0 1.0 N A:ALA360 4.5 42.8 1.0 N A:GLY361 4.6 46.6 1.0 C A:CYS359 4.6 44.5 1.0 CB A:PRO240 5.0 44.4 1.0

Iron binding site 2 out of 2 in the Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450EX Alpha (CYP152N1) Wild-Type with Myristic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:29.9 occ:1.00 FE B:HEM501 0.0 29.9 1.0 O B:HOH602 1.9 26.6 1.0 NB B:HEM501 2.0 55.7 1.0 NA B:HEM501 2.1 67.1 1.0 ND B:HEM501 2.1 51.0 1.0 NC B:HEM501 2.1 44.1 1.0 SG B:CYS359 2.4 36.9 1.0 C1B B:HEM501 3.0 52.2 1.0 C4B B:HEM501 3.0 41.5 1.0 C4A B:HEM501 3.1 63.3 1.0 C1D B:HEM501 3.1 50.0 1.0 C4D B:HEM501 3.1 55.5 1.0 C1C B:HEM501 3.1 42.7 1.0 C1A B:HEM501 3.1 57.7 1.0 C4C B:HEM501 3.2 39.5 1.0 CB B:CYS359 3.3 42.6 1.0 CHB B:HEM501 3.4 54.2 1.0 CHC B:HEM501 3.4 42.8 1.0 CHD B:HEM501 3.5 45.5 1.0 CHA B:HEM501 3.5 60.1 1.0 CA B:CYS359 4.0 47.0 1.0 C2B B:HEM501 4.2 55.2 1.0 C3B B:HEM501 4.2 51.7 1.0 C2D B:HEM501 4.3 51.4 1.0 C3A B:HEM501 4.3 64.7 1.0 NE2 B:GLN348 4.3 28.6 1.0 C3D B:HEM501 4.3 53.0 1.0 C2A B:HEM501 4.4 52.4 1.0 C2C B:HEM501 4.4 42.4 1.0 C3C B:HEM501 4.4 42.0 1.0 N B:ALA360 4.4 45.4 1.0 N B:GLY361 4.5 38.1 1.0 O2 B:MYR502 4.6 68.5 1.0 C B:CYS359 4.6 39.5 1.0 CB B:PRO240 5.0 40.9 1.0 CB B:GLN348 5.0 33.0 1.0

H.Onoda, O.Shoji, K.Suzuki, H.Sugimoto, Y.Shiro, Y.Watanabe. Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed By Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science and 2017TECHNOLOGY.
ISSN: ESSN 2044-4761
DOI: 10.1039/C7CY02263H