Iron in PDB 3dbg: Crystal Structure of Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor

The structure of Crystal Structure of Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor, PDB code: 3dbg was solved by B.Zhao, D.G.Vassylyev, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.60
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	103.596, 103.596, 140.861, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 23

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor (pdb code 3dbg). 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 Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor, PDB code: 3dbg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor


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 Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:25.5 occ:1.00 FE A:HEM500 0.0 25.5 1.0 ND A:HEM500 2.1 48.3 1.0 NC A:HEM500 2.1 46.2 1.0 NB A:HEM500 2.1 44.4 1.0 NA A:HEM500 2.1 46.8 1.0 SG A:CYS410 2.3 35.2 1.0 C4D A:HEM500 3.1 48.6 1.0 C1A A:HEM500 3.1 47.9 1.0 C1D A:HEM500 3.1 47.5 1.0 C1C A:HEM500 3.2 46.1 1.0 C1B A:HEM500 3.2 44.4 1.0 C4C A:HEM500 3.2 46.5 1.0 C4A A:HEM500 3.2 45.7 1.0 C4B A:HEM500 3.2 44.4 1.0 O A:HOH542 3.2 23.5 1.0 CB A:CYS410 3.4 41.9 1.0 CHA A:HEM500 3.4 48.1 1.0 CHD A:HEM500 3.5 46.7 1.0 CHB A:HEM500 3.5 44.3 1.0 CHC A:HEM500 3.5 44.8 1.0 CA A:CYS410 4.2 42.6 1.0 C3D A:HEM500 4.4 49.1 1.0 C2D A:HEM500 4.4 48.2 1.0 C2A A:HEM500 4.4 48.2 1.0 C3B A:HEM500 4.4 44.9 1.0 C2B A:HEM500 4.4 44.6 1.0 C3A A:HEM500 4.4 46.6 1.0 C3C A:HEM500 4.4 46.7 1.0 C2C A:HEM500 4.4 46.3 1.0 CD A:PRO411 4.9 41.2 1.0 C A:CYS410 5.0 42.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor


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 Cytochrome P450 170A1 (CYP170A1) From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:42.7 occ:1.00 FE B:HEM500 0.0 42.7 1.0 NB B:HEM500 2.1 36.3 1.0 NA B:HEM500 2.1 41.9 1.0 ND B:HEM500 2.1 44.8 1.0 NC B:HEM500 2.1 42.5 1.0 SG B:CYS410 2.4 41.8 1.0 C1A B:HEM500 3.1 43.8 1.0 C1B B:HEM500 3.1 35.9 1.0 C4D B:HEM500 3.1 44.1 1.0 C1C B:HEM500 3.2 41.9 1.0 C4A B:HEM500 3.2 41.0 1.0 C4B B:HEM500 3.2 36.5 1.0 C1D B:HEM500 3.2 43.9 1.0 C4C B:HEM500 3.2 42.2 1.0 CB B:CYS410 3.4 52.2 1.0 CHA B:HEM500 3.5 43.5 1.0 CHB B:HEM500 3.5 38.4 1.0 CHC B:HEM500 3.5 39.7 1.0 O B:HOH621 3.5 29.5 1.0 CHD B:HEM500 3.5 42.2 1.0 O B:HOH743 3.8 45.4 1.0 CA B:CYS410 4.2 53.2 1.0 C2B B:HEM500 4.4 34.5 1.0 C3B B:HEM500 4.4 35.1 1.0 C2A B:HEM500 4.4 44.2 1.0 C3A B:HEM500 4.4 42.3 1.0 C3D B:HEM500 4.4 44.0 1.0 C2D B:HEM500 4.4 43.7 1.0 C2C B:HEM500 4.4 42.4 1.0 C3C B:HEM500 4.4 43.1 1.0 CD B:PRO411 4.9 50.0 1.0

B.Zhao, L.Lei, D.G.Vassylyev, X.Lin, D.E.Cane, S.L.Kelly, H.Yuan, D.C.Lamb, M.R.Waterman. Crystal Structure of Albaflavenone Monooxygenase Containing A Moonlighting Terpene Synthase Active Site J.Biol.Chem. V. 284 36711 2009.
ISSN: ISSN 0021-9258
PubMed: 19858213
DOI: 10.1074/JBC.M109.064683