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Iron in PDB 2vku: 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex

Enzymatic activity of 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex

All present enzymatic activity of 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex:
1.14.13.70;

Protein crystallography data

The structure of 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex, PDB code: 2vku was solved by A.N.Eddine, J.P.Von Kries, M.V.Podust, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.17 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.734, 82.095, 85.859, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.2

Iron Binding Sites:

The binding sites of Iron atom in the 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex (pdb code 2vku). 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 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex, PDB code: 2vku:

Iron binding site 1 out of 1 in 2vku

Go back to Iron Binding Sites List in 2vku
Iron binding site 1 out of 1 in the 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14ALPHA-Demethylase (CYP51) in the X-Ray Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1450

b:12.9
occ:1.00
 FE A:HEM1450 0.0 12.9 1.0
NB A:HEM1450 2.0 10.4 1.0
NA A:HEM1450 2.0 12.5 1.0
NC A:HEM1450 2.0 11.4 1.0
ND A:HEM1450 2.0 15.7 1.0
SG A:CYS394 2.7 13.7 1.0
C1B A:HEM1450 3.0 11.4 1.0
C4B A:HEM1450 3.0 10.8 1.0
C1A A:HEM1450 3.0 15.2 1.0
C1C A:HEM1450 3.0 10.8 1.0
C4A A:HEM1450 3.0 12.0 1.0
C4C A:HEM1450 3.1 13.3 1.0
C4D A:HEM1450 3.1 17.8 1.0
C1D A:HEM1450 3.1 17.1 1.0
CHB A:HEM1450 3.4 10.4 1.0
CHC A:HEM1450 3.4 12.2 1.0
CHA A:HEM1450 3.4 16.6 1.0
CHD A:HEM1450 3.5 15.6 1.0
CB A:CYS394 3.5 12.8 1.0
C2B A:HEM1450 4.3 10.6 1.0
C2C A:HEM1450 4.3 13.0 1.0
C3A A:HEM1450 4.3 13.0 1.0
C2A A:HEM1450 4.3 15.8 1.0
O A:ALA256 4.3 23.7 1.0
C3B A:HEM1450 4.3 11.0 1.0
C3C A:HEM1450 4.3 13.7 1.0
C2D A:HEM1450 4.3 18.3 1.0
C3D A:HEM1450 4.3 18.6 1.0
CA A:CYS394 4.4 12.2 1.0
CB A:ALA256 4.6 20.7 1.0
C A:ALA256 4.8 20.7 1.0
N A:GLY396 4.9 9.8 1.0

Reference:

A.N.Eddine, J.P Von Kries, M.V.Podust, T.Warrier, S.H.E.Kaufmann, L.M.Podust. X-Ray Structure of 4,4'-Dihydroxybenzophenone Mimicking Sterol Substrate in the Active Site of Sterol 14ALPHA-Demethylase (CYP51) J.Biol.Chem. V. 283 15152 2008.
ISSN: ISSN 0021-9258
PubMed: 18367444
DOI: 10.1074/JBC.M801145200
Page generated: Thu Jul 17 04:17:48 2025

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