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Iron in PDB 5eqb: Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole

Enzymatic activity of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole

All present enzymatic activity of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole:
1.14.13.70;

Protein crystallography data

The structure of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole, PDB code: 5eqb was solved by B.C.Monk, T.M.Tomasiak, M.V.Keniya, F.U.Huschmann, J.D.A.Tyndall, J.D.O'connell Iii, R.D.Cannon, J.Finer-Morre, R.M.Stroud, Center Forstructures Of Membrane Proteins (Csmp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.19
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.630, 67.845, 80.705, 90.00, 99.75, 90.00
R / Rfree (%) 19.2 / 22.8

Other elements in 5eqb:

The structure of Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole (pdb code 5eqb). 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 Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole, PDB code: 5eqb:

Iron binding site 1 out of 1 in 5eqb

Go back to Iron Binding Sites List in 5eqb
Iron binding site 1 out of 1 in the Crystal Structure of Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole


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 Lanosterol 14-Alpha Demethylase with Intact Transmembrane Domain Bound to Itraconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:31.3
occ:1.00
 FE A:HEM601 0.0 31.3 1.0
ND A:HEM601 1.9 34.9 1.0
NA A:HEM601 2.0 31.5 1.0
NB A:HEM601 2.0 31.4 1.0
NC A:HEM601 2.1 32.2 1.0
N39 A:1YN602 2.1 37.0 1.0
SG A:CYS470 2.3 32.5 1.0
C4D A:HEM601 2.9 30.6 1.0
C1D A:HEM601 2.9 33.0 1.0
C1A A:HEM601 3.0 35.0 1.0
C4B A:HEM601 3.0 28.1 1.0
C4C A:HEM601 3.0 35.2 1.0
C4A A:HEM601 3.0 33.4 1.0
C40 A:1YN602 3.1 41.2 1.0
C38 A:1YN602 3.1 43.3 1.0
C1B A:HEM601 3.1 30.9 1.0
C1C A:HEM601 3.1 33.7 1.0
CB A:CYS470 3.3 31.2 1.0
CHA A:HEM601 3.3 33.3 1.0
CHD A:HEM601 3.4 30.6 1.0
CHC A:HEM601 3.4 30.8 1.0
CHB A:HEM601 3.5 26.3 1.0
CA A:CYS470 4.1 30.8 1.0
C2D A:HEM601 4.1 36.8 1.0
C3D A:HEM601 4.1 35.1 1.0
C2A A:HEM601 4.2 31.2 1.0
C3A A:HEM601 4.2 33.3 1.0
N37 A:1YN602 4.2 51.0 1.0
C2B A:HEM601 4.2 32.0 1.0
C3C A:HEM601 4.3 33.5 1.0
N41 A:1YN602 4.3 49.8 1.0
C3B A:HEM601 4.3 32.4 1.0
C2C A:HEM601 4.3 29.8 1.0
N A:GLY472 4.9 28.7 1.0
N A:ILE471 4.9 26.4 1.0
C A:CYS470 5.0 29.7 1.0

Reference:

B.C.Monk, T.M.Tomasiak, M.V.Keniya, F.U.Huschmann, J.D.Tyndall, J.D.O'connell, R.D.Cannon, J.G.Mcdonald, A.Rodriguez, J.S.Finer-Moore, R.M.Stroud. Architecture of A Single Membrane Spanning Cytochrome P450 Suggests Constraints That Orient the Catalytic Domain Relative to A Bilayer. Proc.Natl.Acad.Sci.Usa V. 111 3865 2014.
ISSN: ESSN 1091-6490
PubMed: 24613931
DOI: 10.1073/PNAS.1324245111
Page generated: Sun Dec 13 16:00:44 2020

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