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Iron in PDB 2wv2: X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole

Enzymatic activity of X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole

All present enzymatic activity of X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole:
1.14.13.70;

Protein crystallography data

The structure of X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole, PDB code: 2wv2 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) 92.06 / 2.70
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.179, 106.179, 99.730, 90.00, 90.00, 120.00
R / Rfree (%) 21 / 27.4

Other elements in 2wv2:

The structure of X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole (pdb code 2wv2). 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 X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole, PDB code: 2wv2:

Iron binding site 1 out of 1 in 2wv2

Go back to Iron Binding Sites List in 2wv2
Iron binding site 1 out of 1 in the X-Ray Structure of CYP51 From the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole


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 the Human Pathogen Trypanosoma Brucei in Complex with Fluconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1450

b:59.7
occ:1.00
 FE A:HEM1450 0.0 59.7 1.0
NC A:HEM1450 2.0 50.0 1.0
NB A:HEM1450 2.0 52.9 1.0
N2 A:TPF1 2.0 69.7 1.0
ND A:HEM1450 2.0 49.5 1.0
NA A:HEM1450 2.0 50.2 1.0
SG A:CYS422 2.3 46.8 1.0
C1C A:HEM1450 2.8 54.3 1.0
C4B A:HEM1450 2.8 55.0 1.0
C4D A:HEM1450 2.8 54.3 1.0
C4 A:TPF1 2.9 69.7 1.0
C1A A:HEM1450 2.9 53.1 1.0
CHC A:HEM1450 3.0 55.6 1.0
C3 A:TPF1 3.1 65.3 1.0
CHA A:HEM1450 3.1 54.9 1.0
C1D A:HEM1450 3.1 57.0 1.0
C4C A:HEM1450 3.1 54.5 1.0
C4A A:HEM1450 3.2 58.0 1.0
C1B A:HEM1450 3.2 57.5 1.0
CB A:CYS422 3.4 45.3 1.0
CHD A:HEM1450 3.6 56.3 1.0
CHB A:HEM1450 3.7 56.7 1.0
N1 A:TPF1 4.1 65.8 1.0
N3 A:TPF1 4.1 63.2 1.0
C2C A:HEM1450 4.1 55.5 1.0
C3B A:HEM1450 4.1 55.8 1.0
CA A:CYS422 4.1 45.2 1.0
C3D A:HEM1450 4.2 56.3 1.0
C3C A:HEM1450 4.2 55.9 1.0
C2A A:HEM1450 4.2 55.2 1.0
C2D A:HEM1450 4.3 54.8 1.0
C2B A:HEM1450 4.3 54.9 1.0
C3A A:HEM1450 4.3 56.8 1.0
N A:GLY424 4.8 42.2 1.0
N A:ILE423 4.9 43.7 1.0
C A:CYS422 4.9 44.3 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: Thu Jul 17 05:25:17 2025

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