Iron in PDB 7mk8: Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol

All present enzymatic activity of Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol:
1.14.14.1;

The structure of Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol, PDB code: 7mk8 was solved by I.F.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.67 / 2.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.29, 205.12, 156.55, 90, 90, 90
R / Rfree (%)	20.3 / 25.3

The binding sites of Iron atom in the Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol (pdb code 7mk8). 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 A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol, PDB code: 7mk8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol


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 A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:38.6 occ:1.00 FE A:HEM601 0.0 38.6 1.0 NB A:HEM601 2.0 34.1 1.0 ND A:HEM601 2.0 37.6 1.0 NA A:HEM601 2.1 41.7 1.0 NC A:HEM601 2.1 41.5 1.0 SG A:CYS442 2.3 39.5 1.0 O A:HOH751 2.5 46.3 1.0 C4B A:HEM601 3.0 35.8 1.0 C4D A:HEM601 3.0 40.7 1.0 C1C A:HEM601 3.1 34.4 1.0 C1B A:HEM601 3.1 41.0 1.0 C1A A:HEM601 3.1 39.0 1.0 C1D A:HEM601 3.1 41.0 1.0 C4A A:HEM601 3.1 37.1 1.0 C4C A:HEM601 3.1 41.7 1.0 CB A:CYS442 3.3 40.6 1.0 CHC A:HEM601 3.4 37.3 1.0 CHA A:HEM601 3.4 34.7 1.0 CHB A:HEM601 3.5 44.0 1.0 CHD A:HEM601 3.5 41.9 1.0 CA A:CYS442 4.0 36.0 1.0 C3B A:HEM601 4.3 35.3 1.0 C3D A:HEM601 4.3 45.4 1.0 C2B A:HEM601 4.3 29.5 1.0 S1 A:DTV603 4.3 88.8 1.0 C2D A:HEM601 4.3 32.6 1.0 C2C A:HEM601 4.3 46.7 1.0 C2A A:HEM601 4.3 50.5 1.0 C3A A:HEM601 4.3 38.5 1.0 C3C A:HEM601 4.3 44.3 1.0 O A:ALA305 4.5 41.0 1.0 CB A:ALA305 4.6 27.6 1.0 C A:CYS442 4.8 36.6 1.0 N A:GLY444 4.9 40.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol


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 A Surface Mutant of Human Fetal-Specific CYP3A7 Bound to Dithiothreitol within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:41.3 occ:1.00 FE B:HEM601 0.0 41.3 1.0 ND B:HEM601 2.0 43.4 1.0 NA B:HEM601 2.0 43.4 1.0 NB B:HEM601 2.0 43.3 1.0 NC B:HEM601 2.1 48.9 1.0 SG B:CYS442 2.3 42.6 1.0 O B:HOH731 2.5 51.0 1.0 C4D B:HEM601 3.0 39.5 1.0 C1D B:HEM601 3.0 38.9 1.0 C1A B:HEM601 3.0 39.2 1.0 C4B B:HEM601 3.0 42.0 1.0 C4A B:HEM601 3.1 42.2 1.0 C1B B:HEM601 3.1 42.2 1.0 C1C B:HEM601 3.1 39.2 1.0 C4C B:HEM601 3.1 47.5 1.0 CB B:CYS442 3.2 40.9 1.0 CHA B:HEM601 3.4 41.8 1.0 CHC B:HEM601 3.4 38.9 1.0 CHD B:HEM601 3.4 44.8 1.0 CHB B:HEM601 3.5 41.4 1.0 CA B:CYS442 4.0 47.3 1.0 C2D B:HEM601 4.2 41.1 1.0 C3D B:HEM601 4.2 40.9 1.0 C2A B:HEM601 4.3 43.5 1.0 C3A B:HEM601 4.3 41.1 1.0 C3B B:HEM601 4.3 40.0 1.0 C2B B:HEM601 4.3 40.3 1.0 C2C B:HEM601 4.3 40.0 1.0 C3C B:HEM601 4.3 43.4 1.0 O B:ALA305 4.5 50.0 1.0 CB B:ALA305 4.7 32.9 1.0 C B:CYS442 4.7 48.6 1.0 N B:GLY444 4.9 53.8 1.0 S1 B:DTV603 4.9 98.9 1.0

I.F.Sevrioukova, I.F.Sevrioukova. N/A N/A.
ISSN: ESSN 1422-0067