Atomistry » Iron » PDB 2wl9-2xdq » 2wuz
Atomistry »
  Iron »
    PDB 2wl9-2xdq »
      2wuz »

Iron in PDB 2wuz: X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation

Enzymatic activity of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation

All present enzymatic activity of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation:
1.14.13.70;

Protein crystallography data

The structure of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation, PDB code: 2wuz was solved by C.-K.Chen, S.S.F.Leung, C.Guilbert, M.Jacobson, J.H.Mckerrow, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.53 / 2.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.858, 92.574, 78.277, 90.00, 102.14, 90.00
R / Rfree (%) 21.739 / 27.476

Other elements in 2wuz:

The structure of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation (pdb code 2wuz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation, PDB code: 2wuz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2wuz

Go back to Iron Binding Sites List in 2wuz
Iron binding site 1 out of 2 in the X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1450

b:42.5
occ:1.00
FE A:HEM1450 0.0 42.5 1.0
NB A:HEM1450 1.9 39.5 1.0
NC A:HEM1450 2.0 41.5 1.0
NA A:HEM1450 2.0 40.4 1.0
ND A:HEM1450 2.1 41.9 1.0
N5 A:TPF1460 2.2 44.4 1.0
SG A:CYS422 2.2 40.3 1.0
C4B A:HEM1450 2.9 38.3 1.0
C7 A:TPF1460 2.9 46.9 1.0
C1B A:HEM1450 3.0 36.4 1.0
C1C A:HEM1450 3.0 41.8 1.0
C4A A:HEM1450 3.1 39.2 1.0
C1A A:HEM1450 3.1 40.7 1.0
C4D A:HEM1450 3.1 44.0 1.0
C4C A:HEM1450 3.1 42.1 1.0
C1D A:HEM1450 3.1 41.3 1.0
CHC A:HEM1450 3.3 40.8 1.0
C6 A:TPF1460 3.4 44.0 1.0
CB A:CYS422 3.4 39.7 1.0
CHB A:HEM1450 3.4 36.3 1.0
CHA A:HEM1450 3.5 41.6 1.0
CHD A:HEM1450 3.5 41.7 1.0
CA A:CYS422 4.1 39.9 1.0
C3B A:HEM1450 4.1 33.7 1.0
C2B A:HEM1450 4.2 33.5 1.0
N6 A:TPF1460 4.2 46.8 1.0
C2C A:HEM1450 4.2 42.2 1.0
C3C A:HEM1450 4.3 44.0 1.0
C2A A:HEM1450 4.3 39.0 1.0
C3A A:HEM1450 4.3 37.7 1.0
N4 A:TPF1460 4.3 43.8 1.0
C3D A:HEM1450 4.4 44.4 1.0
C2D A:HEM1450 4.4 42.0 1.0
N A:GLY424 4.7 34.9 1.0
CB A:ALA291 4.8 39.7 1.0
C A:CYS422 4.8 38.7 1.0
N A:ILE423 4.9 37.2 1.0

Iron binding site 2 out of 2 in 2wuz

Go back to Iron Binding Sites List in 2wuz
Iron binding site 2 out of 2 in the X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of CYP51 From Trypanosoma Cruzi in Complex with Fluconazole in Alternative Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1450

b:42.8
occ:1.00
FE B:HEM1450 0.0 42.8 1.0
NB B:HEM1450 1.9 36.6 1.0
NA B:HEM1450 2.0 39.4 1.0
NC B:HEM1450 2.1 38.5 1.0
ND B:HEM1450 2.2 40.4 1.0
N2 B:TPF1460 2.2 45.2 1.0
SG B:CYS422 2.2 40.2 1.0
C4B B:HEM1450 2.9 35.3 1.0
C4 B:TPF1460 3.0 45.7 1.0
C1B B:HEM1450 3.0 37.8 1.0
C1A B:HEM1450 3.0 41.1 1.0
C4A B:HEM1450 3.1 37.1 1.0
C1C B:HEM1450 3.1 38.6 1.0
C4D B:HEM1450 3.1 42.4 1.0
C1D B:HEM1450 3.2 39.2 1.0
C4C B:HEM1450 3.2 39.2 1.0
CHC B:HEM1450 3.3 40.5 1.0
CB B:CYS422 3.3 39.8 1.0
C3 B:TPF1460 3.3 46.4 1.0
CHA B:HEM1450 3.4 42.1 1.0
CHB B:HEM1450 3.4 35.3 1.0
CHD B:HEM1450 3.6 38.0 1.0
CA B:CYS422 4.0 40.0 1.0
C3B B:HEM1450 4.1 34.4 1.0
C2B B:HEM1450 4.2 36.1 1.0
N3 B:TPF1460 4.2 43.8 1.0
C2A B:HEM1450 4.3 40.4 1.0
C3A B:HEM1450 4.3 38.7 1.0
C2C B:HEM1450 4.3 39.6 1.0
N1 B:TPF1460 4.3 45.3 1.0
C3D B:HEM1450 4.4 43.9 1.0
C3C B:HEM1450 4.4 39.3 1.0
C2D B:HEM1450 4.4 41.7 1.0
N B:GLY424 4.7 35.0 1.0
N B:ILE423 4.8 37.2 1.0
C B:CYS422 4.8 38.9 1.0
CB B:ALA291 4.9 39.4 1.0

Reference:

C.-K.Chen, S.S.F.Leung, C.Guilbert, M.Jacobson, J.H.Mckerrow, L.M.Podust. Structural Characterization of CYP51 From Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole Plos Negl Trop Dis V. 4 E651 2010.
ISSN: ISSN 1935-2727
PubMed: 20386598
DOI: 10.1371/JOURNAL.PNTD.0000651
Page generated: Sun Dec 13 14:56:04 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