Iron in PDB 5vcc: Crystal Structure of Human CYP3A4 Bound to Glycerol

All present enzymatic activity of Crystal Structure of Human CYP3A4 Bound to Glycerol:
1.14.13.157; 1.14.13.32; 1.14.13.67; 1.14.13.97; 1.14.14.1;

The structure of Crystal Structure of Human CYP3A4 Bound to Glycerol, PDB code: 5vcc was solved by I.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.62 / 1.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.300, 98.910, 133.660, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.4

The binding sites of Iron atom in the Crystal Structure of Human CYP3A4 Bound to Glycerol (pdb code 5vcc). 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 CYP3A4 Bound to Glycerol, PDB code: 5vcc:

Iron binding site 1 out of 1 in the Crystal Structure of Human CYP3A4 Bound to Glycerol


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 CYP3A4 Bound to Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:30.4 occ:1.00 FE A:HEM601 0.0 30.4 1.0 NA A:HEM601 2.0 28.1 1.0 NC A:HEM601 2.0 30.1 1.0 ND A:HEM601 2.1 30.1 1.0 NB A:HEM601 2.1 27.5 1.0 SG A:CYS442 2.4 31.0 1.0 O A:HOH798 2.5 38.0 1.0 C1C A:HEM601 3.0 33.1 1.0 C1D A:HEM601 3.0 30.9 1.0 C4C A:HEM601 3.0 28.8 1.0 C4B A:HEM601 3.1 29.0 1.0 C4A A:HEM601 3.1 31.6 1.0 C1A A:HEM601 3.1 29.9 1.0 C4D A:HEM601 3.1 31.0 1.0 C1B A:HEM601 3.1 28.6 1.0 CB A:CYS442 3.4 26.8 1.0 CHD A:HEM601 3.4 32.0 1.0 CHC A:HEM601 3.4 30.4 1.0 CHB A:HEM601 3.5 28.1 1.0 CHA A:HEM601 3.5 28.9 1.0 CA A:CYS442 4.1 31.3 1.0 C2C A:HEM601 4.2 32.5 1.0 C3C A:HEM601 4.3 30.9 1.0 C3A A:HEM601 4.3 28.0 1.0 C2D A:HEM601 4.3 33.5 1.0 C2A A:HEM601 4.3 28.9 1.0 C3B A:HEM601 4.3 26.9 1.0 C3D A:HEM601 4.3 31.4 1.0 C2B A:HEM601 4.3 28.3 1.0 C1 A:GOL602 4.4 76.7 1.0 O1 A:EDO611 4.5 59.7 1.0 O A:ALA305 4.7 34.0 1.0 O1 A:GOL602 4.7 79.9 1.0 CB A:ALA305 4.8 32.5 1.0 C A:CYS442 4.8 35.8 1.0 N A:GLY444 4.9 31.2 1.0

I.F.Sevrioukova, I.Sevrioukova. N/A N/A.
ISSN: ISSN 1520-4995
PubMed: 28590129
DOI: 10.1021/ACS.BIOCHEM.7B00334