Iron in PDB 1pq2: Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8

All present enzymatic activity of Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8:
1.14.14.1;

The structure of Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8, PDB code: 1pq2 was solved by G.A.Schoch, J.K.Yano, M.R.Wester, K.J.Griffin, C.D.Stout, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.988, 137.405, 97.322, 90.00, 112.51, 90.00
R / Rfree (%)	24.8 / 28.8

The binding sites of Iron atom in the Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8 (pdb code 1pq2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8, PDB code: 1pq2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:42.6 occ:1.00 FE A:HEM500 0.0 42.6 1.0 NC A:HEM500 2.0 44.2 1.0 NB A:HEM500 2.0 43.0 1.0 NA A:HEM500 2.1 42.8 1.0 ND A:HEM500 2.1 40.2 1.0 SG A:CYS435 2.2 43.6 1.0 C1C A:HEM500 3.0 45.2 1.0 C1D A:HEM500 3.0 41.4 1.0 C4B A:HEM500 3.0 42.6 1.0 C4A A:HEM500 3.0 42.5 1.0 C1B A:HEM500 3.0 44.0 1.0 C4C A:HEM500 3.0 42.7 1.0 C4D A:HEM500 3.1 40.7 1.0 C1A A:HEM500 3.1 42.8 1.0 CHC A:HEM500 3.3 42.7 1.0 CHB A:HEM500 3.3 42.2 1.0 CHD A:HEM500 3.3 41.6 1.0 CHA A:HEM500 3.4 41.9 1.0 CB A:CYS435 3.5 44.0 1.0 O A:ALA297 4.0 48.3 1.0 C2C A:HEM500 4.2 45.5 1.0 C2D A:HEM500 4.2 41.8 1.0 C3A A:HEM500 4.2 41.3 1.0 C3B A:HEM500 4.2 41.5 1.0 C3C A:HEM500 4.2 45.3 1.0 C2B A:HEM500 4.3 42.5 1.0 C3D A:HEM500 4.3 42.8 1.0 C2A A:HEM500 4.3 42.6 1.0 CA A:CYS435 4.3 44.4 1.0 CB A:ALA297 4.4 46.7 1.0 C A:ALA297 4.6 47.5 1.0 N A:GLY437 4.9 46.5 1.0 N A:ALA436 4.9 46.1 1.0 C A:CYS435 4.9 46.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:41.6 occ:1.00 FE B:HEM500 0.0 41.6 1.0 NC B:HEM500 2.0 45.0 1.0 NB B:HEM500 2.0 42.6 1.0 NA B:HEM500 2.1 44.0 1.0 ND B:HEM500 2.1 42.0 1.0 SG B:CYS435 2.2 41.4 1.0 C4B B:HEM500 3.0 45.0 1.0 C1C B:HEM500 3.0 45.4 1.0 C1D B:HEM500 3.0 43.4 1.0 C1B B:HEM500 3.0 45.2 1.0 C4A B:HEM500 3.0 43.6 1.0 C4C B:HEM500 3.0 43.8 1.0 C4D B:HEM500 3.0 43.5 1.0 C1A B:HEM500 3.1 44.2 1.0 CHC B:HEM500 3.3 45.1 1.0 CHB B:HEM500 3.3 44.0 1.0 CHD B:HEM500 3.3 42.8 1.0 CHA B:HEM500 3.4 45.0 1.0 CB B:CYS435 3.6 39.0 1.0 O B:ALA297 3.8 51.1 1.0 C2C B:HEM500 4.2 45.9 1.0 C2D B:HEM500 4.2 43.1 1.0 C3B B:HEM500 4.2 44.4 1.0 C3C B:HEM500 4.3 45.0 1.0 C3A B:HEM500 4.3 43.9 1.0 C2B B:HEM500 4.3 44.6 1.0 C3D B:HEM500 4.3 43.4 1.0 C2A B:HEM500 4.3 44.0 1.0 CA B:CYS435 4.3 38.3 1.0 CB B:ALA297 4.5 50.1 1.0 C B:ALA297 4.7 49.8 1.0 N B:GLY437 4.8 40.3 1.0 C B:CYS435 5.0 40.3 1.0

G.A.Schoch, J.K.Yano, M.R.Wester, K.J.Griffin, C.D.Stout, E.F.Johnson. Structure of Human Microsomal Cytochrome P450 2C8. Evidence For A Peripheral Fatty Acid Binding Site J.Biol.Chem. V. 279 9497 2004.
ISSN: ISSN 0021-9258
PubMed: 14676196
DOI: 10.1074/JBC.M312516200