Iron in PDB 3juv: Crystal Structure of Human Lanosterol 14ALPHA-Demethylase (CYP51)

All present enzymatic activity of Crystal Structure of Human Lanosterol 14ALPHA-Demethylase (CYP51):
1.14.13.70;

The structure of Crystal Structure of Human Lanosterol 14ALPHA-Demethylase (CYP51), PDB code: 3juv was solved by N.Strushkevich, F.Mackenzie, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, S.A.Usanov, H.Park, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.67 / 3.12
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	174.144, 174.144, 244.269, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 22.7

The binding sites of Iron atom in the Crystal Structure of Human Lanosterol 14ALPHA-Demethylase (CYP51) (pdb code 3juv). 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 Human Lanosterol 14ALPHA-Demethylase (CYP51), PDB code: 3juv:

Iron binding site 1 out of 1 in the Crystal Structure of Human Lanosterol 14ALPHA-Demethylase (CYP51)


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 Human Lanosterol 14ALPHA-Demethylase (CYP51) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:58.5 occ:1.00 FE A:HEM601 0.0 58.5 1.0 ND A:HEM601 2.0 59.0 1.0 NC A:HEM601 2.0 58.8 1.0 NB A:HEM601 2.0 57.0 1.0 NA A:HEM601 2.1 57.3 1.0 SG A:CYS449 2.3 69.2 1.0 C4D A:HEM601 3.0 60.2 1.0 C1C A:HEM601 3.0 58.9 1.0 C1D A:HEM601 3.0 60.4 1.0 C4B A:HEM601 3.1 56.6 1.0 C4C A:HEM601 3.1 59.8 1.0 C1A A:HEM601 3.1 57.5 1.0 C1B A:HEM601 3.1 56.1 1.0 C4A A:HEM601 3.2 55.9 1.0 CHA A:HEM601 3.4 59.4 1.0 CHC A:HEM601 3.4 57.8 1.0 CHD A:HEM601 3.4 60.4 1.0 CB A:CYS449 3.5 70.0 1.0 CHB A:HEM601 3.5 55.5 1.0 O A:ALA311 4.1 64.4 1.0 C3D A:HEM601 4.2 61.8 1.0 C2D A:HEM601 4.3 61.3 1.0 C2C A:HEM601 4.3 59.4 1.0 C3C A:HEM601 4.3 60.1 1.0 C3B A:HEM601 4.3 56.1 1.0 C2B A:HEM601 4.3 56.0 1.0 C2A A:HEM601 4.3 56.3 1.0 C3A A:HEM601 4.4 55.6 1.0 CA A:CYS449 4.4 70.0 1.0 C A:ALA311 4.9 64.3 1.0

N.Strushkevich, S.A.Usanov, H.W.Park. Structural Basis of Human CYP51 Inhibition By Antifungal Azoles. J. Mol. Biol. V. 397 1067 2010.
ISSN: ESSN 1089-8638
PubMed: 20149798
DOI: 10.1016/J.JMB.2010.01.075