Atomistry » Iron » PDB 6ayc-6bps » 6bdm
Atomistry »
  Iron »
    PDB 6ayc-6bps »
      6bdm »

Iron in PDB 6bdm: Crystal Structure of Human CYP3A4 Bound to An Inhibitor

Enzymatic activity of Crystal Structure of Human CYP3A4 Bound to An Inhibitor

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

Protein crystallography data

The structure of Crystal Structure of Human CYP3A4 Bound to An Inhibitor, PDB code: 6bdm was solved by I.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.08 / 2.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.290, 101.410, 127.370, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 27.5

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human CYP3A4 Bound to An Inhibitor (pdb code 6bdm). 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 An Inhibitor, PDB code: 6bdm:

Iron binding site 1 out of 1 in 6bdm

Go back to Iron Binding Sites List in 6bdm
Iron binding site 1 out of 1 in the Crystal Structure of Human CYP3A4 Bound to An Inhibitor


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 An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:66.6
occ:1.00
FE A:HEM601 0.0 66.6 1.0
NA A:HEM601 2.0 56.4 1.0
ND A:HEM601 2.0 69.1 1.0
NB A:HEM601 2.0 67.0 1.0
NC A:HEM601 2.1 73.3 1.0
N27 A:Y83602 2.2 57.4 1.0
SG A:CYS442 2.4 70.6 1.0
C26 A:Y83602 2.9 65.4 1.0
C1A A:HEM601 2.9 77.2 1.0
C4D A:HEM601 3.0 73.0 1.0
C4B A:HEM601 3.0 62.9 1.0
C1C A:HEM601 3.0 74.8 1.0
C4A A:HEM601 3.0 62.8 1.0
C1D A:HEM601 3.0 80.3 1.0
C1B A:HEM601 3.1 77.8 1.0
C4C A:HEM601 3.1 69.7 1.0
CB A:CYS442 3.1 74.4 1.0
C28 A:Y83602 3.3 89.3 1.0
CHA A:HEM601 3.3 65.1 1.0
CHC A:HEM601 3.4 72.3 1.0
CHB A:HEM601 3.5 69.9 1.0
CHD A:HEM601 3.5 71.5 1.0
CA A:CYS442 4.0 69.5 1.0
C2A A:HEM601 4.2 64.8 1.0
C3D A:HEM601 4.2 73.2 1.0
C3A A:HEM601 4.2 67.5 1.0
C2D A:HEM601 4.2 75.4 1.0
C3B A:HEM601 4.2 76.2 1.0
C2B A:HEM601 4.2 64.2 1.0
C2C A:HEM601 4.3 78.3 1.0
C3C A:HEM601 4.3 69.7 1.0
C25 A:Y83602 4.3 64.5 1.0
C29 A:Y83602 4.6 75.8 1.0
C A:CYS442 4.7 66.5 1.0
N A:GLY444 4.9 76.4 1.0
N A:ILE443 4.9 68.2 1.0
C30 A:Y83602 5.0 56.7 1.0

Reference:

E.R.Samuels, I.F.Sevrioukova. Interaction of the Rationally Designed Ritonavir-Like Inhibitors with Human Cytochrome P450 3A4: Impact of the Side Group Interplay Mol. Pharm. 2017.
ISSN: ESSN 1543-8392
Page generated: Sun Dec 13 16:21:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy