Atomistry » Iron » PDB 4wch-4wwz » 4wnu
Atomistry »
  Iron »
    PDB 4wch-4wwz »
      4wnu »

Iron in PDB 4wnu: Human Cytochrome P450 2D6 Quinidine Complex

Enzymatic activity of Human Cytochrome P450 2D6 Quinidine Complex

All present enzymatic activity of Human Cytochrome P450 2D6 Quinidine Complex:
1.14.14.1;

Protein crystallography data

The structure of Human Cytochrome P450 2D6 Quinidine Complex, PDB code: 4wnu was solved by A.Wang, C.D.Stout, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.04 / 2.26
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.340, 192.114, 250.749, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 23.2

Other elements in 4wnu:

The structure of Human Cytochrome P450 2D6 Quinidine Complex also contains other interesting chemical elements:

Zinc (Zn) 5 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Human Cytochrome P450 2D6 Quinidine Complex (pdb code 4wnu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Cytochrome P450 2D6 Quinidine Complex, PDB code: 4wnu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4wnu

Go back to Iron Binding Sites List in 4wnu
Iron binding site 1 out of 4 in the Human Cytochrome P450 2D6 Quinidine Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Cytochrome P450 2D6 Quinidine Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:24.4
occ:1.00
FE A:HEM601 0.0 24.4 1.0
NC A:HEM601 2.0 24.6 1.0
ND A:HEM601 2.1 23.6 1.0
NA A:HEM601 2.1 22.2 1.0
NB A:HEM601 2.1 17.5 1.0
SG A:CYS443 2.2 21.4 1.0
C4C A:HEM601 3.0 22.6 1.0
C1C A:HEM601 3.1 26.0 1.0
C1D A:HEM601 3.1 24.1 1.0
C1A A:HEM601 3.1 23.8 1.0
C4D A:HEM601 3.1 22.8 1.0
C4A A:HEM601 3.1 23.2 1.0
C4B A:HEM601 3.1 24.3 1.0
C1B A:HEM601 3.1 22.8 1.0
CB A:CYS443 3.2 27.6 1.0
CHD A:HEM601 3.4 23.0 1.0
CHC A:HEM601 3.4 24.1 1.0
CHA A:HEM601 3.5 22.9 1.0
CHB A:HEM601 3.5 23.2 1.0
CA A:CYS443 4.0 26.6 1.0
C3C A:HEM601 4.2 24.5 1.0
C1 A:DMS603 4.2 50.0 1.0
C2C A:HEM601 4.2 25.3 1.0
C2D A:HEM601 4.3 27.0 1.0
C3D A:HEM601 4.3 25.4 1.0
C2A A:HEM601 4.3 24.6 1.0
C3A A:HEM601 4.3 25.1 1.0
C3B A:HEM601 4.3 22.5 1.0
C2B A:HEM601 4.4 23.3 1.0
O A:ALA305 4.6 36.6 1.0
N A:GLY445 4.7 26.5 1.0
C A:CYS443 4.7 25.1 1.0
N A:LEU444 4.9 23.2 1.0
CA A:GLY445 5.0 27.3 1.0
CB A:ALA305 5.0 29.7 1.0

Iron binding site 2 out of 4 in 4wnu

Go back to Iron Binding Sites List in 4wnu
Iron binding site 2 out of 4 in the Human Cytochrome P450 2D6 Quinidine Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Cytochrome P450 2D6 Quinidine Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:30.4
occ:1.00
FE B:HEM601 0.0 30.4 1.0
NC B:HEM601 2.1 24.9 1.0
NB B:HEM601 2.1 26.3 1.0
ND B:HEM601 2.1 26.9 1.0
NA B:HEM601 2.1 29.9 1.0
SG B:CYS443 2.2 25.2 1.0
C4B B:HEM601 3.1 29.1 1.0
C4C B:HEM601 3.1 27.1 1.0
C1C B:HEM601 3.1 28.3 1.0
C1D B:HEM601 3.1 26.5 1.0
C1B B:HEM601 3.1 28.6 1.0
C4D B:HEM601 3.1 25.3 1.0
C1A B:HEM601 3.1 28.7 1.0
C4A B:HEM601 3.1 29.9 1.0
CB B:CYS443 3.2 29.3 1.0
CHC B:HEM601 3.4 28.6 1.0
CHD B:HEM601 3.4 26.4 1.0
CHA B:HEM601 3.4 25.3 1.0
CHB B:HEM601 3.5 28.5 1.0
C1 B:DMS603 3.9 53.4 1.0
CA B:CYS443 4.0 30.2 1.0
C3C B:HEM601 4.3 27.5 1.0
C2C B:HEM601 4.3 28.8 1.0
C3B B:HEM601 4.3 31.2 1.0
C2D B:HEM601 4.3 25.8 1.0
C3D B:HEM601 4.3 24.8 1.0
C2B B:HEM601 4.3 30.4 1.0
C2A B:HEM601 4.3 29.8 1.0
C3A B:HEM601 4.3 32.0 1.0
O B:ALA305 4.7 36.8 1.0
N B:GLY445 4.7 28.0 1.0
C B:CYS443 4.8 32.6 1.0
CB B:ALA305 4.9 32.7 1.0
N B:LEU444 4.9 30.5 1.0
CA B:GLY445 5.0 27.5 1.0

Iron binding site 3 out of 4 in 4wnu

Go back to Iron Binding Sites List in 4wnu
Iron binding site 3 out of 4 in the Human Cytochrome P450 2D6 Quinidine Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Cytochrome P450 2D6 Quinidine Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe601

b:27.8
occ:1.00
FE C:HEM601 0.0 27.8 1.0
NB C:HEM601 2.0 22.2 1.0
NC C:HEM601 2.1 21.6 1.0
NA C:HEM601 2.1 25.2 1.0
ND C:HEM601 2.1 23.8 1.0
SG C:CYS443 2.3 25.8 1.0
C1B C:HEM601 3.0 21.5 1.0
C4B C:HEM601 3.0 24.5 1.0
C4C C:HEM601 3.0 23.5 1.0
C1C C:HEM601 3.0 23.3 1.0
C4A C:HEM601 3.1 25.1 1.0
C1D C:HEM601 3.1 23.8 1.0
C1A C:HEM601 3.1 24.3 1.0
C4D C:HEM601 3.2 23.8 1.0
CB C:CYS443 3.3 22.6 1.0
CHB C:HEM601 3.4 22.4 1.0
CHD C:HEM601 3.4 24.3 1.0
CHC C:HEM601 3.4 23.6 1.0
CHA C:HEM601 3.5 23.9 1.0
CA C:CYS443 4.0 24.4 1.0
C2B C:HEM601 4.3 24.4 1.0
C3C C:HEM601 4.3 24.5 1.0
C2C C:HEM601 4.3 23.4 1.0
C3B C:HEM601 4.3 25.4 1.0
C3A C:HEM601 4.3 25.8 1.0
C2A C:HEM601 4.3 24.3 1.0
C2D C:HEM601 4.3 25.4 1.0
C3D C:HEM601 4.4 25.0 1.0
O C:ALA305 4.6 29.5 1.0
C1 C:DMS603 4.6 34.9 1.0
N C:GLY445 4.7 27.1 1.0
C C:CYS443 4.8 25.4 1.0
N C:LEU444 4.9 26.9 1.0
CB C:ALA305 4.9 28.4 1.0

Iron binding site 4 out of 4 in 4wnu

Go back to Iron Binding Sites List in 4wnu
Iron binding site 4 out of 4 in the Human Cytochrome P450 2D6 Quinidine Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Cytochrome P450 2D6 Quinidine Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe601

b:31.2
occ:1.00
FE D:HEM601 0.0 31.2 1.0
NB D:HEM601 2.0 32.0 1.0
NA D:HEM601 2.1 30.6 1.0
ND D:HEM601 2.1 29.6 1.0
NC D:HEM601 2.1 29.6 1.0
SG D:CYS443 2.2 32.6 1.0
C4B D:HEM601 3.0 33.0 1.0
C1B D:HEM601 3.0 31.9 1.0
C1C D:HEM601 3.1 31.8 1.0
C1D D:HEM601 3.1 27.9 1.0
C4A D:HEM601 3.1 31.4 1.0
C4C D:HEM601 3.1 29.2 1.0
C1A D:HEM601 3.1 30.5 1.0
C4D D:HEM601 3.1 29.4 1.0
CB D:CYS443 3.2 32.4 1.0
CHC D:HEM601 3.4 31.9 1.0
CHB D:HEM601 3.4 32.0 1.0
CHD D:HEM601 3.5 29.2 1.0
CHA D:HEM601 3.5 29.9 1.0
C1 D:DMS603 3.9 54.7 1.0
CA D:CYS443 4.0 33.1 1.0
C2B D:HEM601 4.3 31.8 1.0
C3B D:HEM601 4.3 33.3 1.0
C2D D:HEM601 4.3 31.1 1.0
C2C D:HEM601 4.3 29.9 1.0
C3C D:HEM601 4.3 29.6 1.0
C3D D:HEM601 4.3 28.4 1.0
C3A D:HEM601 4.3 32.0 1.0
C2A D:HEM601 4.3 31.1 1.0
O D:ALA305 4.5 34.7 1.0
C D:CYS443 4.7 35.2 1.0
N D:GLY445 4.7 34.7 1.0
N D:LEU444 4.9 35.6 1.0
CB D:ALA305 4.9 29.6 1.0
CD2 D:PHE436 5.0 33.2 1.0

Reference:

A.Wang, C.D.Stout, Q.Zhang, E.F.Johnson. Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6)Substrate and Inhibitor Binding. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25555909
DOI: 10.1074/JBC.M114.627661
Page generated: Sun Dec 13 15:51:13 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy