Iron in PDB 1w0e: Crystal Structure of Human Cytochrome P450 3A4

All present enzymatic activity of Crystal Structure of Human Cytochrome P450 3A4:
1.14.13.67; 1.14.14.1;

The structure of Crystal Structure of Human Cytochrome P450 3A4, PDB code: 1w0e was solved by P.A.Williams, J.Cosme, D.M.Vinkovic, A.Ward, H.C.Angove, P.J.Day, C.Vonrhein, I.J.Tickle, H.Jhoti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	200 / 2.8
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.940, 100.910, 131.000, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Crystal Structure of Human Cytochrome P450 3A4 (pdb code 1w0e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human Cytochrome P450 3A4, PDB code: 1w0e:

Iron binding site 1 out of 1 in the Crystal Structure of Human Cytochrome P450 3A4


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 Cytochrome P450 3A4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1501 b:27.4 occ:1.00 FE A:HEM1501 0.0 27.4 1.0 ND A:HEM1501 2.0 33.8 1.0 NA A:HEM1501 2.0 32.3 1.0 NB A:HEM1501 2.0 33.1 1.0 NC A:HEM1501 2.1 33.6 1.0 SG A:CYS442 2.5 43.4 1.0 C1D A:HEM1501 3.0 34.0 1.0 C4C A:HEM1501 3.0 33.6 1.0 C4B A:HEM1501 3.1 33.7 1.0 C4A A:HEM1501 3.1 32.2 1.0 C4D A:HEM1501 3.1 33.6 1.0 C1B A:HEM1501 3.1 34.7 1.0 C1C A:HEM1501 3.1 32.4 1.0 C1A A:HEM1501 3.1 34.4 1.0 CHD A:HEM1501 3.4 32.7 1.0 CHC A:HEM1501 3.4 31.6 1.0 CHA A:HEM1501 3.4 32.5 1.0 CHB A:HEM1501 3.4 33.0 1.0 CB A:CYS442 3.5 42.6 1.0 CA A:CYS442 4.1 42.4 1.0 C2D A:HEM1501 4.3 33.1 1.0 C3D A:HEM1501 4.3 34.2 1.0 C3A A:HEM1501 4.3 32.4 1.0 C3C A:HEM1501 4.3 32.7 1.0 C3B A:HEM1501 4.3 34.9 1.0 C2C A:HEM1501 4.3 31.1 1.0 C2A A:HEM1501 4.3 36.0 1.0 C2B A:HEM1501 4.3 35.4 1.0 CB A:ALA305 4.5 40.2 1.0 O A:ALA305 4.7 41.8 1.0 O A:HOH2028 4.7 54.9 1.0 C A:CYS442 4.9 42.6 1.0

P.A.Williams, J.Cosme, D.M.Vinkovic, A.Ward, H.C.Angove, P.J.Day, C.Vonrhein, I.J.Tickle, H.Jhoti. Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science V. 305 683 2004.
ISSN: ISSN 0036-8075
PubMed: 15256616
DOI: 10.1126/SCIENCE.1099736