Iron in PDB 9jqm: X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid

The structure of X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid, PDB code: 9jqm was solved by S.Phaisan, A.Phintha, D.Trisrivirat, A.Charoenpol, H.Tanaka, G.Kurisu, P.Watthaisong, J.Sucharitakul, P.Chaiyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.63 / 2.44
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.799, 188.859, 198.313, 90, 90, 90
R / Rfree (%)	18.2 / 23

The binding sites of Iron atom in the X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid (pdb code 9jqm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid, PDB code: 9jqm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:56.1 occ:1.00 FE B:HEM501 0.0 56.1 1.0 NC B:HEM501 2.0 51.3 1.0 NA B:HEM501 2.0 55.0 1.0 ND B:HEM501 2.1 54.0 1.0 NB B:HEM501 2.1 59.9 1.0 SG B:CYS367 2.3 59.9 1.0 C4C B:HEM501 3.0 52.9 1.0 C4A B:HEM501 3.0 55.8 1.0 C1C B:HEM501 3.1 55.4 1.0 C1D B:HEM501 3.1 51.0 1.0 C1A B:HEM501 3.1 57.5 1.0 C1B B:HEM501 3.1 54.8 1.0 C4D B:HEM501 3.1 52.5 1.0 C4B B:HEM501 3.1 54.3 1.0 O2 B:DCR502 3.3 58.9 1.0 CB B:CYS367 3.3 59.5 1.0 CHD B:HEM501 3.4 55.1 1.0 CHB B:HEM501 3.4 55.3 1.0 CHC B:HEM501 3.5 54.5 1.0 CHA B:HEM501 3.5 54.6 1.0 C2 B:DCR502 3.8 68.9 1.0 C1 B:DCR502 3.9 69.5 1.0 CA B:CYS367 3.9 58.5 1.0 C3C B:HEM501 4.2 54.0 1.0 C2C B:HEM501 4.3 54.9 1.0 C3A B:HEM501 4.3 60.9 1.0 C2A B:HEM501 4.3 56.7 1.0 C2D B:HEM501 4.3 54.8 1.0 NE2 B:GLN356 4.3 51.0 1.0 C2B B:HEM501 4.3 57.4 1.0 C3B B:HEM501 4.3 58.2 1.0 C3D B:HEM501 4.3 51.9 1.0 CB B:PRO248 4.4 54.8 1.0 O B:HOH630 4.6 66.6 1.0 C B:CYS367 4.7 57.2 1.0 N B:ALA368 4.8 56.1 1.0 N B:GLY369 4.8 57.5 1.0 CG B:PRO248 4.8 57.6 1.0 CB B:GLN356 5.0 47.7 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Cytochrome P450 Olet From Lacicoccus Alkaliphilus in Complex with Icosanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:60.3 occ:1.00 FE A:HEM501 0.0 60.3 1.0 NC A:HEM501 2.0 50.9 1.0 NA A:HEM501 2.1 59.1 1.0 NB A:HEM501 2.1 60.5 1.0 ND A:HEM501 2.1 59.1 1.0 SG A:CYS367 2.4 65.6 1.0 C1C A:HEM501 3.0 58.1 1.0 C4C A:HEM501 3.0 59.3 1.0 C4A A:HEM501 3.0 56.2 1.0 C1B A:HEM501 3.0 54.0 1.0 C4B A:HEM501 3.1 55.0 1.0 C1D A:HEM501 3.1 57.2 1.0 O1 A:DCR502 3.1 72.8 1.0 C1A A:HEM501 3.1 59.1 1.0 C4D A:HEM501 3.2 59.6 1.0 O2 A:DCR502 3.3 69.3 1.0 CB A:CYS367 3.4 59.1 1.0 CHB A:HEM501 3.4 51.8 1.0 CHD A:HEM501 3.4 57.6 1.0 CHC A:HEM501 3.4 54.3 1.0 CHA A:HEM501 3.6 62.5 1.0 C1 A:DCR502 3.6 69.4 1.0 CA A:CYS367 4.0 58.0 1.0 C2C A:HEM501 4.2 55.0 1.0 C3C A:HEM501 4.2 53.5 1.0 C2B A:HEM501 4.3 62.5 1.0 C3B A:HEM501 4.3 58.3 1.0 C3A A:HEM501 4.3 57.9 1.0 C2A A:HEM501 4.3 55.4 1.0 C2D A:HEM501 4.4 57.4 1.0 C3D A:HEM501 4.4 56.0 1.0 NE2 A:GLN356 4.4 55.5 1.0 CB A:PRO248 4.5 57.2 1.0 O A:HOH636 4.7 70.8 1.0 C A:CYS367 4.7 64.1 1.0 N A:GLY369 4.7 58.3 1.0 N A:ALA368 4.8 64.1 1.0 CG A:PRO248 4.9 63.9 1.0

S.Phaisan, A.Phintha, D.Trisrivirat, N.Lawan, J.Sucharitakul, A.Charoenpol, P.Watthaisong, H.Tanaka, G.Kurisu, P.Chaiyen. Unique Structural Features Define the Decarboxylation Activity of A CYP152 Fatty Acid Decarboxylase From Lacicoccus Alkaliphilus. J.Biol.Chem. V. 301 10397 2025.
ISSN: ESSN 1083-351X
PubMed: 40543591
DOI: 10.1016/J.JBC.2025.110397