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Iron in PDB 3kw4: Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Ticlopidine

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

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

Protein crystallography data

The structure of Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Ticlopidine, PDB code: 3kw4 was solved by S.C.Gay, K.Maekawa, A.G.Roberts, 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) 68.54 / 2.67
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 93.500, 93.500, 137.070, 90.00, 90.00, 120.00
R / Rfree (%) 19.5 / 25.3

Other elements in 3kw4:

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

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Ticlopidine (pdb code 3kw4). 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 Cytochrome 2B4 in Complex with the Anti-Platelet Drug Ticlopidine, PDB code: 3kw4:

Iron binding site 1 out of 1 in 3kw4

Go back to Iron Binding Sites List in 3kw4
Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome 2B4 in Complex with the Anti-Platelet Drug Ticlopidine


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 Ticlopidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:50.0
occ:1.00
FE A:HEM500 0.0 50.0 1.0
NB A:HEM500 1.9 41.2 1.0
NA A:HEM500 2.0 46.9 1.0
ND A:HEM500 2.0 44.9 1.0
NC A:HEM500 2.0 51.3 1.0
SG A:CYS436 2.4 56.8 1.0
C1B A:HEM500 2.9 48.6 1.0
C4A A:HEM500 2.9 46.9 1.0
C1D A:HEM500 2.9 49.3 1.0
C4C A:HEM500 3.0 52.2 1.0
C4B A:HEM500 3.0 41.5 1.0
C1A A:HEM500 3.1 48.3 1.0
C1C A:HEM500 3.1 47.9 1.0
C4D A:HEM500 3.1 47.8 1.0
CHB A:HEM500 3.3 48.9 1.0
CHD A:HEM500 3.3 49.9 1.0
CB A:CYS436 3.3 50.8 1.0
CHC A:HEM500 3.5 49.4 1.0
CHA A:HEM500 3.5 50.2 1.0
CL1 A:TIC600 3.8 69.6 0.5
CA A:CYS436 4.0 51.6 1.0
O A:ALA298 4.1 59.6 1.0
C2B A:HEM500 4.1 48.6 1.0
C3B A:HEM500 4.2 42.3 1.0
C3A A:HEM500 4.2 47.9 1.0
C2D A:HEM500 4.2 52.3 1.0
C3C A:HEM500 4.2 47.7 1.0
C2A A:HEM500 4.3 50.2 1.0
C2C A:HEM500 4.3 46.7 1.0
C3D A:HEM500 4.3 47.6 1.0
CB A:ALA298 4.4 59.1 1.0
C8 A:TIC600 4.4 64.6 0.5
N A:GLY438 4.7 59.1 1.0
C A:CYS436 4.7 56.6 1.0
N A:LEU437 4.7 56.5 1.0
C A:ALA298 4.8 56.5 1.0
C12 A:TIC600 4.9 65.8 0.5
C10 A:TIC600 5.0 65.4 0.5

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 15:10:34 2020

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