Iron in PDB 2nnh: CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid

All present enzymatic activity of CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid:
1.14.14.1;

The structure of CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid, PDB code: 2nnh was solved by G.A.Schoch, J.K.Yano, 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 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	139.810, 163.620, 73.555, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 29

The binding sites of Iron atom in the CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid (pdb code 2nnh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid, PDB code: 2nnh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:32.8 occ:1.00 FE A:HEM500 0.0 32.8 1.0 NA A:HEM500 2.1 33.5 1.0 ND A:HEM500 2.1 33.6 1.0 NC A:HEM500 2.1 33.1 1.0 NB A:HEM500 2.1 31.8 1.0 SG A:CYS435 2.3 36.4 1.0 C1D A:HEM500 3.0 34.5 1.0 C1C A:HEM500 3.0 32.8 1.0 C4B A:HEM500 3.0 29.8 1.0 C4D A:HEM500 3.0 33.6 1.0 C4A A:HEM500 3.0 33.4 1.0 C1A A:HEM500 3.1 35.3 1.0 C1B A:HEM500 3.1 30.0 1.0 C4C A:HEM500 3.1 33.6 1.0 CHC A:HEM500 3.3 31.2 1.0 CHD A:HEM500 3.3 34.2 1.0 CB A:CYS435 3.3 36.6 1.0 CHB A:HEM500 3.3 30.7 1.0 CHA A:HEM500 3.4 34.1 1.0 O A:ALA297 3.9 38.6 1.0 CA A:CYS435 4.1 35.2 1.0 C2D A:HEM500 4.2 32.8 1.0 C2C A:HEM500 4.2 31.9 1.0 C3D A:HEM500 4.3 32.7 1.0 C2A A:HEM500 4.3 35.1 1.0 C3A A:HEM500 4.3 33.5 1.0 C3B A:HEM500 4.3 27.4 1.0 C3C A:HEM500 4.3 34.9 1.0 C2B A:HEM500 4.3 26.0 1.0 C4 A:9CR501 4.5 50.0 1.0 CB A:ALA297 4.6 36.4 1.0 C A:ALA297 4.8 38.4 1.0 C3 A:9CR501 4.8 51.2 1.0 C A:CYS435 4.8 37.5 1.0 N A:ALA436 4.9 37.1 1.0

Iron binding site 2 out of 2 in the CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYP2C8DH Complexed with 2 Molecules of 9-Cis Retinoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:32.9 occ:1.00 FE B:HEM500 0.0 32.9 1.0 NC B:HEM500 2.0 34.3 1.0 NB B:HEM500 2.1 33.0 1.0 NA B:HEM500 2.1 34.3 1.0 ND B:HEM500 2.1 34.3 1.0 SG B:CYS435 2.3 37.2 1.0 C1C B:HEM500 3.0 35.5 1.0 C4B B:HEM500 3.0 32.4 1.0 C1D B:HEM500 3.0 33.8 1.0 C4A B:HEM500 3.0 33.5 1.0 C1B B:HEM500 3.0 33.1 1.0 C4C B:HEM500 3.0 36.5 1.0 C4D B:HEM500 3.0 33.3 1.0 C1A B:HEM500 3.1 33.8 1.0 CHC B:HEM500 3.3 33.4 1.0 CHB B:HEM500 3.3 33.3 1.0 CHD B:HEM500 3.3 35.6 1.0 CHA B:HEM500 3.4 33.0 1.0 CB B:CYS435 3.5 34.3 1.0 O B:ALA297 3.7 40.8 1.0 CA B:CYS435 4.1 35.4 1.0 C2C B:HEM500 4.2 38.1 1.0 C2D B:HEM500 4.2 32.5 1.0 C3C B:HEM500 4.2 37.6 1.0 C3B B:HEM500 4.3 31.6 1.0 C3A B:HEM500 4.3 32.6 1.0 C3D B:HEM500 4.3 32.8 1.0 C2B B:HEM500 4.3 31.7 1.0 C2A B:HEM500 4.3 33.6 1.0 CB B:ALA297 4.7 39.6 1.0 C B:ALA297 4.7 41.5 1.0 CD1 B:PHE428 4.8 31.7 1.0 N B:ALA436 4.8 39.2 1.0 C B:CYS435 4.8 37.4 1.0 N B:GLY437 4.8 39.0 1.0 C4 B:9CR501 4.8 53.0 1.0 C3 B:9CR501 5.0 54.2 1.0

G.A.Schoch, J.K.Yano, S.Sansen, P.M.Dansette, C.D.Stout, E.F.Johnson. Determinants of Cytochrome P450 2C8 Substrate Binding: Structures of Complexes with Montelukast, Troglitazone, Felodipine, and 9-Cis-Retinoic Acid. J.Biol.Chem. V. 283 17227 2008.
ISSN: ISSN 0021-9258
PubMed: 18413310
DOI: 10.1074/JBC.M802180200