Iron in PDB 1bu7: Cryogenic Structure of Cytochrome P450BM-3 Heme Domain

All present enzymatic activity of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain:
1.14.14.1;

The structure of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain, PDB code: 1bu7 was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.380, 151.900, 62.770, 90.00, 96.02, 90.00
R / Rfree (%)	19.7 / 25.1

The binding sites of Iron atom in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain (pdb code 1bu7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain, PDB code: 1bu7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:12.1 occ:1.00 FE A:HEM999 0.0 12.1 1.0 ND A:HEM999 2.0 10.0 1.0 NB A:HEM999 2.0 11.6 1.0 NC A:HEM999 2.0 13.1 1.0 NA A:HEM999 2.0 11.9 1.0 SG A:CYS400 2.4 14.2 1.0 O A:HOH1020 2.6 24.3 1.0 C4B A:HEM999 3.0 11.2 1.0 C4C A:HEM999 3.0 14.2 1.0 C1D A:HEM999 3.0 14.2 1.0 C4A A:HEM999 3.0 11.9 1.0 C1B A:HEM999 3.0 14.6 1.0 C4D A:HEM999 3.0 13.9 1.0 C1C A:HEM999 3.0 13.0 1.0 C1A A:HEM999 3.0 11.9 1.0 CB A:CYS400 3.3 11.4 1.0 CHD A:HEM999 3.4 12.7 1.0 CHC A:HEM999 3.4 12.8 1.0 CHB A:HEM999 3.4 15.9 1.0 CHA A:HEM999 3.4 14.2 1.0 CA A:CYS400 4.1 12.6 1.0 C3B A:HEM999 4.3 12.0 1.0 C3C A:HEM999 4.3 14.3 1.0 C2D A:HEM999 4.3 10.8 1.0 C3D A:HEM999 4.3 14.1 1.0 C2B A:HEM999 4.3 9.9 1.0 C2C A:HEM999 4.3 12.5 1.0 C3A A:HEM999 4.3 14.6 1.0 C2A A:HEM999 4.3 14.8 1.0 O A:ALA264 4.3 37.2 1.0 N A:GLY402 4.8 12.7 1.0 C A:CYS400 4.8 11.7 1.0 CB A:ALA264 4.9 35.2 1.0 C A:ALA264 4.9 36.0 1.0 N A:ILE401 4.9 11.6 1.0

Iron binding site 2 out of 2 in the Cryogenic Structure of Cytochrome P450BM-3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryogenic Structure of Cytochrome P450BM-3 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1000 b:13.0 occ:1.00 FE B:HEM1000 0.0 13.0 1.0 NB B:HEM1000 2.0 13.3 1.0 NA B:HEM1000 2.0 12.5 1.0 NC B:HEM1000 2.0 14.9 1.0 ND B:HEM1000 2.0 15.2 1.0 SG B:CYS400 2.3 14.5 1.0 O B:HOH1380 2.7 20.1 1.0 C4A B:HEM1000 3.0 15.3 1.0 C1C B:HEM1000 3.0 16.5 1.0 C1B B:HEM1000 3.0 15.6 1.0 C4B B:HEM1000 3.0 17.6 1.0 C1D B:HEM1000 3.0 19.0 1.0 C4C B:HEM1000 3.0 15.7 1.0 C4D B:HEM1000 3.0 15.7 1.0 C1A B:HEM1000 3.1 15.9 1.0 CB B:CYS400 3.3 14.8 1.0 CHB B:HEM1000 3.4 12.9 1.0 CHD B:HEM1000 3.4 20.1 1.0 CHC B:HEM1000 3.4 14.2 1.0 CHA B:HEM1000 3.5 17.3 1.0 CA B:CYS400 4.0 14.7 1.0 O B:ALA264 4.2 20.8 1.0 C3A B:HEM1000 4.2 16.8 1.0 C3B B:HEM1000 4.3 12.8 1.0 C2B B:HEM1000 4.3 15.1 1.0 C3C B:HEM1000 4.3 18.2 1.0 C2C B:HEM1000 4.3 17.3 1.0 C3D B:HEM1000 4.3 15.6 1.0 C2D B:HEM1000 4.3 12.3 1.0 C2A B:HEM1000 4.3 14.4 1.0 CB B:ALA264 4.7 19.1 1.0 N B:GLY402 4.8 12.8 1.0 C B:CYS400 4.8 9.1 1.0 C B:ALA264 4.9 23.5 1.0 N B:ILE401 5.0 12.9 1.0

I.F.Sevrioukova, H.Li, H.Zhang, J.A.Peterson, T.L.Poulos. Structure of A Cytochrome P450-Redox Partner Electron-Transfer Complex. Proc.Natl.Acad.Sci.Usa V. 96 1863 1999.
ISSN: ISSN 0027-8424
PubMed: 10051560
DOI: 10.1073/PNAS.96.5.1863