Iron in PDB 1og2: Structure of Human Cytochrome P450 CYP2C9

All present enzymatic activity of Structure of Human Cytochrome P450 CYP2C9:
1.14.13.48; 1.14.13.49; 1.14.13.80;

The structure of Structure of Human Cytochrome P450 CYP2C9, PDB code: 1og2 was solved by P.A.Williams, J.Cosme, A.Ward, H.C.Angove, D.Matak Vinkovic, H.Jhoti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.90 / 2.6
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.870, 164.870, 111.105, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 25.9

The binding sites of Iron atom in the Structure of Human Cytochrome P450 CYP2C9 (pdb code 1og2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Human Cytochrome P450 CYP2C9, PDB code: 1og2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Human Cytochrome P450 CYP2C9


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Cytochrome P450 CYP2C9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:36.4 occ:1.00 FE A:HEC501 0.0 36.4 1.0 NB A:HEC501 1.9 20.6 1.0 ND A:HEC501 1.9 36.5 1.0 NC A:HEC501 2.2 26.8 1.0 NA A:HEC501 2.2 31.8 1.0 SG A:CYS435 2.3 33.4 1.0 O A:HOH2031 2.9 46.3 1.0 C4B A:HEC501 3.0 24.0 1.0 C1B A:HEC501 3.0 19.4 1.0 C1D A:HEC501 3.0 22.6 1.0 C4D A:HEC501 3.0 31.9 1.0 C4A A:HEC501 3.2 24.6 1.0 C1C A:HEC501 3.2 28.1 1.0 C4C A:HEC501 3.2 25.6 1.0 C1A A:HEC501 3.2 28.3 1.0 CHB A:HEC501 3.4 23.6 1.0 CHC A:HEC501 3.4 18.3 1.0 CB A:CYS435 3.4 33.7 1.0 CHD A:HEC501 3.5 27.7 1.0 CHA A:HEC501 3.6 23.4 1.0 O A:ALA297 4.0 50.3 1.0 CA A:CYS435 4.2 33.4 1.0 C3B A:HEC501 4.3 13.7 1.0 C2B A:HEC501 4.3 17.6 1.0 C2D A:HEC501 4.3 24.4 1.0 C3D A:HEC501 4.4 26.5 1.0 C3C A:HEC501 4.5 29.0 1.0 C2A A:HEC501 4.5 25.0 1.0 C3A A:HEC501 4.5 25.3 1.0 C2C A:HEC501 4.5 28.6 1.0 CB A:ALA297 4.8 40.2 1.0 C A:ALA297 4.9 41.1 1.0 C A:CYS435 5.0 34.6 1.0 CD2 A:PHE428 5.0 24.7 1.0 N A:GLY437 5.0 32.3 1.0 N A:VAL436 5.0 36.0 1.0

Iron binding site 2 out of 2 in the Structure of Human Cytochrome P450 CYP2C9


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Cytochrome P450 CYP2C9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:32.9 occ:1.00 FE B:HEC501 0.0 32.9 1.0 NB B:HEC501 1.9 14.7 1.0 ND B:HEC501 1.9 29.6 1.0 NA B:HEC501 2.2 18.6 1.0 NC B:HEC501 2.2 16.8 1.0 SG B:CYS435 2.5 40.2 1.0 C4B B:HEC501 2.9 16.6 1.0 C1B B:HEC501 3.0 18.6 1.0 C1D B:HEC501 3.0 19.9 1.0 C4D B:HEC501 3.0 19.4 1.0 C4A B:HEC501 3.1 21.9 1.0 C1C B:HEC501 3.2 20.6 1.0 C1A B:HEC501 3.2 15.1 1.0 C4C B:HEC501 3.2 15.5 1.0 CHC B:HEC501 3.4 21.7 1.0 CB B:CYS435 3.4 35.2 1.0 CHB B:HEC501 3.4 17.9 1.0 CHD B:HEC501 3.5 10.3 1.0 CHA B:HEC501 3.5 16.6 1.0 C3B B:HEC501 4.2 17.3 1.0 CA B:CYS435 4.2 32.4 1.0 O B:HOH2063 4.3 31.0 1.0 C2D B:HEC501 4.3 21.8 1.0 C2B B:HEC501 4.3 18.5 1.0 C3D B:HEC501 4.3 20.0 1.0 C3A B:HEC501 4.5 19.0 1.0 C2A B:HEC501 4.5 20.5 1.0 C3C B:HEC501 4.5 15.2 1.0 C2C B:HEC501 4.5 13.9 1.0 O B:ALA297 4.6 40.0 1.0 CB B:ALA297 4.7 38.7 1.0 C B:CYS435 4.9 32.8 1.0 N B:GLY437 5.0 34.1 1.0 CD2 B:PHE428 5.0 33.5 1.0

P.A.Williams, J.Cosme, A.Ward, H.C.Angove, D.Matak Vinkovic, H.Jhoti. Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin Nature V. 424 464 2003.
ISSN: ISSN 0028-0836
PubMed: 12861225
DOI: 10.1038/NATURE01862