Iron in PDB 3qm4: Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex

All present enzymatic activity of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex:
1.14.14.1;

The structure of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex, PDB code: 3qm4 was solved by A.Wang, 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)	41.00 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	194.540, 55.070, 145.870, 90.00, 134.97, 90.00
R / Rfree (%)	24.3 / 28.8

The structure of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Iron atom in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex (pdb code 3qm4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex, PDB code: 3qm4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:42.9 occ:1.00 FE A:HEM502 0.0 42.9 1.0 NC A:HEM502 2.0 41.6 1.0 NB A:HEM502 2.0 41.3 1.0 NA A:HEM502 2.1 41.8 1.0 ND A:HEM502 2.1 40.9 1.0 N2 A:PN0503 2.2 59.3 1.0 SG A:CYS443 2.3 51.2 1.0 C1C A:HEM502 3.0 42.9 1.0 C4B A:HEM502 3.0 43.0 1.0 C1D A:HEM502 3.0 41.3 1.0 C4A A:HEM502 3.0 42.5 1.0 C4D A:HEM502 3.0 39.4 1.0 C4C A:HEM502 3.0 42.8 1.0 C1A A:HEM502 3.0 41.4 1.0 C1B A:HEM502 3.0 42.4 1.0 C13 A:PN0503 3.1 59.1 1.0 C14 A:PN0503 3.1 58.6 1.0 CHC A:HEM502 3.2 43.1 1.0 CB A:CYS443 3.3 46.8 1.0 CHB A:HEM502 3.3 42.1 1.0 CHD A:HEM502 3.3 42.0 1.0 CHA A:HEM502 3.3 39.2 1.0 CA A:CYS443 4.1 47.3 1.0 C2C A:HEM502 4.2 43.4 1.0 C2D A:HEM502 4.2 38.3 1.0 C3A A:HEM502 4.2 41.1 1.0 C3C A:HEM502 4.2 43.4 1.0 C3B A:HEM502 4.2 41.4 1.0 C3D A:HEM502 4.3 36.8 1.0 C2A A:HEM502 4.3 40.1 1.0 C2B A:HEM502 4.3 41.8 1.0 C12 A:PN0503 4.4 58.0 1.0 C15 A:PN0503 4.4 59.6 1.0 C A:CYS443 4.8 47.5 1.0 N A:GLY445 4.9 50.6 1.0 C11 A:PN0503 4.9 58.6 1.0 N A:LEU444 5.0 46.9 1.0

Iron binding site 2 out of 2 in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:60.6 occ:1.00 FE B:HEM502 0.0 60.6 1.0 NC B:HEM502 2.0 60.9 1.0 NA B:HEM502 2.1 60.5 1.0 NB B:HEM502 2.1 60.4 1.0 ND B:HEM502 2.1 61.6 1.0 N2 B:PN0503 2.2 46.5 1.0 SG B:CYS443 2.3 58.8 1.0 C14 B:PN0503 2.9 46.1 1.0 C1C B:HEM502 3.0 61.7 1.0 C4B B:HEM502 3.0 59.4 1.0 C1D B:HEM502 3.0 61.5 1.0 C4D B:HEM502 3.0 60.8 1.0 C4C B:HEM502 3.1 61.4 1.0 C4A B:HEM502 3.1 60.9 1.0 C1A B:HEM502 3.1 60.3 1.0 C1B B:HEM502 3.1 60.2 1.0 CHC B:HEM502 3.2 60.1 1.0 C13 B:PN0503 3.3 46.8 1.0 CHD B:HEM502 3.3 61.5 1.0 CHA B:HEM502 3.4 60.9 1.0 CHB B:HEM502 3.4 61.7 1.0 CB B:CYS443 3.4 58.6 1.0 C2C B:HEM502 4.2 62.3 1.0 C2D B:HEM502 4.2 60.2 1.0 C3C B:HEM502 4.3 60.4 1.0 C3A B:HEM502 4.3 59.5 1.0 C15 B:PN0503 4.3 48.7 1.0 C3B B:HEM502 4.3 58.2 1.0 C3D B:HEM502 4.3 59.8 1.0 C2A B:HEM502 4.3 59.4 1.0 CA B:CYS443 4.3 56.7 1.0 C2B B:HEM502 4.3 57.6 1.0 C12 B:PN0503 4.5 46.2 1.0 C11 B:PN0503 4.9 49.6 1.0 N B:GLY445 5.0 61.1 1.0

A.Wang, U.Savas, M.H.Hsu, C.D.Stout, E.F.Johnson. Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound. J.Biol.Chem. V. 287 10834 2012.
ISSN: ISSN 0021-9258
PubMed: 22308038
DOI: 10.1074/JBC.M111.307918