Atomistry » Iron » PDB 3m38-3mma » 3me6
Atomistry »
  Iron »
    PDB 3m38-3mma »
      3me6 »

Iron in PDB 3me6: Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel

Enzymatic activity of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel

All present enzymatic activity of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel, PDB code: 3me6 was solved by S.C.Gay, A.G.Roberts, K.Maekawa, J.C.Talakad, W.X.Hong, Q.Zhang, C.D.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.75 / 3.10
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 234.490, 234.490, 57.320, 90.00, 90.00, 120.00
R / Rfree (%) 17.8 / 23.4

Other elements in 3me6:

The structure of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel (pdb code 3me6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel, PDB code: 3me6:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3me6

Go back to Iron Binding Sites List in 3me6
Iron binding site 1 out of 4 in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel


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 Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:29.2
occ:1.00
FE A:HEM500 0.0 29.2 1.0
NA A:HEM500 2.0 30.5 1.0
NB A:HEM500 2.0 31.9 1.0
NC A:HEM500 2.1 31.2 1.0
ND A:HEM500 2.1 31.5 1.0
SG A:CYS436 2.3 26.1 1.0
C4A A:HEM500 3.0 31.5 1.0
C1B A:HEM500 3.0 32.9 1.0
C1A A:HEM500 3.0 30.2 1.0
C4B A:HEM500 3.1 31.8 1.0
C4D A:HEM500 3.1 30.9 1.0
C1D A:HEM500 3.1 31.4 1.0
C1C A:HEM500 3.1 30.8 1.0
C4C A:HEM500 3.1 31.7 1.0
CB A:CYS436 3.2 27.2 1.0
CAD A:CGE501 3.3 98.9 1.0
CHB A:HEM500 3.3 33.5 1.0
CHA A:HEM500 3.4 30.0 1.0
CHC A:HEM500 3.5 32.3 1.0
CHD A:HEM500 3.5 32.3 1.0
CAE A:CGE501 3.6 98.5 1.0
CA A:CYS436 4.1 27.6 1.0
C3A A:HEM500 4.2 31.1 1.0
C2A A:HEM500 4.2 31.1 1.0
C2B A:HEM500 4.3 32.3 1.0
C3B A:HEM500 4.3 32.8 1.0
C3D A:HEM500 4.3 28.4 1.0
C2D A:HEM500 4.3 28.4 1.0
C2C A:HEM500 4.3 28.9 1.0
C3C A:HEM500 4.3 30.1 1.0
CAG A:CGE501 4.5 98.1 1.0
N A:GLY438 4.7 30.2 1.0
C A:CYS436 4.8 27.2 1.0
CB A:ALA298 4.8 48.8 1.0
N A:LEU437 4.8 27.8 1.0
CAH A:CGE501 4.9 98.3 1.0
CA A:GLY438 5.0 30.4 1.0

Iron binding site 2 out of 4 in 3me6

Go back to Iron Binding Sites List in 3me6
Iron binding site 2 out of 4 in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel


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 Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:25.8
occ:1.00
FE B:HEM500 0.0 25.8 1.0
NA B:HEM500 1.9 26.4 1.0
NC B:HEM500 2.0 27.8 1.0
NB B:HEM500 2.1 28.5 1.0
ND B:HEM500 2.1 29.2 1.0
SG B:CYS436 2.4 23.2 1.0
C4A B:HEM500 2.9 27.2 1.0
C1B B:HEM500 3.0 28.7 1.0
C1A B:HEM500 3.0 27.5 1.0
C4C B:HEM500 3.0 28.5 1.0
C1D B:HEM500 3.1 28.6 1.0
C1C B:HEM500 3.1 28.7 1.0
C4D B:HEM500 3.1 28.6 1.0
C4B B:HEM500 3.2 28.6 1.0
CHB B:HEM500 3.3 28.5 1.0
CB B:CYS436 3.3 25.8 1.0
CAE B:CGE501 3.4 0.2 1.0
CHD B:HEM500 3.4 29.0 1.0
CHA B:HEM500 3.5 28.2 1.0
CAD B:CGE501 3.5 0.3 1.0
CHC B:HEM500 3.6 29.3 1.0
C3A B:HEM500 4.1 29.0 1.0
CA B:CYS436 4.2 26.1 1.0
C2A B:HEM500 4.2 29.3 1.0
C3C B:HEM500 4.3 27.4 1.0
C2B B:HEM500 4.3 28.0 1.0
C2C B:HEM500 4.3 27.7 1.0
C2D B:HEM500 4.3 25.9 1.0
C3D B:HEM500 4.3 25.9 1.0
C3B B:HEM500 4.4 28.1 1.0
CAH B:CGE501 4.7 0.1 1.0
N B:GLY438 4.8 28.8 1.0
CAG B:CGE501 4.8 0.1 1.0
CB B:ALA298 4.8 47.8 1.0
N B:LEU437 5.0 26.7 1.0
C B:CYS436 5.0 26.3 1.0

Iron binding site 3 out of 4 in 3me6

Go back to Iron Binding Sites List in 3me6
Iron binding site 3 out of 4 in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe500

b:23.7
occ:1.00
FE C:HEM500 0.0 23.7 1.0
NA C:HEM500 1.9 25.4 1.0
ND C:HEM500 2.1 27.4 1.0
NB C:HEM500 2.1 27.2 1.0
NC C:HEM500 2.1 26.3 1.0
SG C:CYS436 2.5 23.1 1.0
C4A C:HEM500 2.9 26.7 1.0
C1A C:HEM500 3.0 28.0 1.0
C1B C:HEM500 3.0 28.7 1.0
C1D C:HEM500 3.1 27.8 1.0
C4D C:HEM500 3.1 27.6 1.0
C4C C:HEM500 3.1 26.8 1.0
C4B C:HEM500 3.1 26.8 1.0
C1C C:HEM500 3.2 26.9 1.0
CB C:CYS436 3.2 25.2 1.0
CHB C:HEM500 3.3 29.9 1.0
CAD C:CGE501 3.4 0.1 1.0
CHA C:HEM500 3.4 27.0 1.0
CHD C:HEM500 3.4 28.1 1.0
CAE C:CGE501 3.5 0.7 1.0
CHC C:HEM500 3.6 27.8 1.0
CA C:CYS436 4.1 25.5 1.0
C3A C:HEM500 4.2 28.4 1.0
C2A C:HEM500 4.2 30.3 1.0
C2B C:HEM500 4.3 26.9 1.0
C2D C:HEM500 4.3 25.9 1.0
C3D C:HEM500 4.3 26.7 1.0
C3B C:HEM500 4.3 27.6 1.0
C3C C:HEM500 4.4 23.9 1.0
C2C C:HEM500 4.4 24.1 1.0
CAG C:CGE501 4.7 0.5 1.0
C C:CYS436 4.9 25.8 1.0
CAH C:CGE501 4.9 0.3 1.0
N C:LEU437 4.9 26.8 1.0
N C:GLY438 4.9 29.6 1.0
CB C:ALA298 4.9 46.4 1.0

Iron binding site 4 out of 4 in 3me6

Go back to Iron Binding Sites List in 3me6
Iron binding site 4 out of 4 in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Clopidogrel within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe500

b:24.4
occ:1.00
FE D:HEM500 0.0 24.4 1.0
NA D:HEM500 2.0 25.9 1.0
ND D:HEM500 2.0 27.4 1.0
NB D:HEM500 2.1 27.4 1.0
NC D:HEM500 2.1 24.0 1.0
SG D:CYS436 2.3 22.6 1.0
C4A D:HEM500 3.0 26.4 1.0
C1A D:HEM500 3.0 27.3 1.0
C1B D:HEM500 3.1 28.1 1.0
C4D D:HEM500 3.1 27.4 1.0
C1D D:HEM500 3.1 26.9 1.0
C1C D:HEM500 3.1 23.3 1.0
C4B D:HEM500 3.1 27.6 1.0
C4C D:HEM500 3.1 22.2 1.0
CAD D:CGE501 3.2 0.8 1.0
CB D:CYS436 3.2 25.9 1.0
CHB D:HEM500 3.4 27.2 1.0
CHA D:HEM500 3.4 27.1 1.0
CHD D:HEM500 3.5 23.8 1.0
CHC D:HEM500 3.5 26.1 1.0
CAE D:CGE501 3.6 0.5 1.0
CA D:CYS436 4.0 26.7 1.0
C3A D:HEM500 4.2 27.5 1.0
C2A D:HEM500 4.3 28.4 1.0
C2D D:HEM500 4.3 26.1 1.0
C3D D:HEM500 4.3 26.2 1.0
C2B D:HEM500 4.3 29.4 1.0
C3B D:HEM500 4.3 29.3 1.0
C2C D:HEM500 4.3 19.4 1.0
C3C D:HEM500 4.3 18.9 1.0
CAG D:CGE501 4.4 0.4 1.0
N D:GLY438 4.8 32.3 1.0
N D:LEU437 4.8 28.3 1.0
C D:CYS436 4.8 27.4 1.0
CAH D:CGE501 4.9 0.3 1.0
CB D:ALA298 4.9 48.8 1.0

Reference:

S.C.Gay, A.G.Roberts, K.Maekawa, J.C.Talakad, W.X.Hong, Q.Zhang, C.D.Stout, J.R.Halpert. Structures of Cytochrome P450 2B4 Complexed with the Antiplatelet Drugs Ticlopidine and Clopidogrel. Biochemistry V. 49 8709 2010.
ISSN: ISSN 0006-2960
PubMed: 20815363
DOI: 10.1021/BI100914Z
Page generated: Sun Dec 13 15:12:15 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