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Iron in PDB 7lyx: Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole

Enzymatic activity of Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole

All present enzymatic activity of Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole:
1.14.18.8;

Protein crystallography data

The structure of Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole, PDB code: 7lyx was solved by J.Liu, E.E.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.24 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.344, 89.234, 107.984, 90, 90, 90
R / Rfree (%) 21.4 / 26.9

Other elements in 7lyx:

The structure of Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole (pdb code 7lyx). 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 CYP8B1 in Complex with (S)-Tioconazole, PDB code: 7lyx:

Iron binding site 1 out of 1 in 7lyx

Go back to Iron Binding Sites List in 7lyx
Iron binding site 1 out of 1 in the Crystal Structure of Human CYP8B1 in Complex with (S)-Tioconazole


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 CYP8B1 in Complex with (S)-Tioconazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:46.6
occ:1.00
FE A:HEM601 0.0 46.6 1.0
NA A:HEM601 2.0 48.1 1.0
ND A:HEM601 2.0 51.6 1.0
NC A:HEM601 2.1 46.8 1.0
NB A:HEM601 2.1 49.8 1.0
N19 A:YHM602 2.6 77.2 1.0
SG A:CYS440 2.6 49.7 1.0
HB2 A:CYS440 2.8 51.8 1.0
H181 A:YHM602 2.9 64.9 1.0
C1A A:HEM601 3.0 52.5 1.0
C4D A:HEM601 3.0 53.2 1.0
C1D A:HEM601 3.1 51.0 1.0
C18 A:YHM602 3.1 66.9 1.0
C4A A:HEM601 3.1 46.4 1.0
C4C A:HEM601 3.1 42.6 1.0
C1B A:HEM601 3.1 44.4 1.0
C1C A:HEM601 3.1 43.9 1.0
C4B A:HEM601 3.1 40.5 1.0
CB A:CYS440 3.2 42.8 1.0
CHA A:HEM601 3.4 52.1 1.0
CHD A:HEM601 3.4 45.4 1.0
CHB A:HEM601 3.4 50.5 1.0
CHC A:HEM601 3.5 44.2 1.0
C20 A:YHM602 3.8 72.9 1.0
HA A:CYS440 3.8 65.2 1.0
HB3 A:CYS440 4.0 51.8 1.0
CA A:CYS440 4.1 49.3 1.0
H201 A:YHM602 4.1 72.3 1.0
HD2 A:PRO441 4.2 55.6 1.0
C3D A:HEM601 4.2 50.7 1.0
C2A A:HEM601 4.3 54.3 1.0
C2D A:HEM601 4.3 52.5 1.0
C3A A:HEM601 4.3 52.4 1.0
C3C A:HEM601 4.3 42.6 1.0
C2C A:HEM601 4.3 44.6 1.0
C2B A:HEM601 4.3 44.8 1.0
N17 A:YHM602 4.3 72.4 1.0
C3B A:HEM601 4.3 43.6 1.0
HHA A:HEM601 4.4 68.2 1.0
HHD A:HEM601 4.4 53.7 1.0
HHB A:HEM601 4.4 64.4 1.0
H A:GLY442 4.5 47.3 1.0
HHC A:HEM601 4.5 51.5 1.0
HE3 A:TRP433 4.6 64.7 1.0
H221 A:YHM602 4.6 82.9 1.0
HD22 A:ASN286 4.7 62.5 1.0
C21 A:YHM602 4.7 77.4 1.0
C A:CYS440 4.9 43.6 1.0
O A:ALA282 4.9 34.8 1.0
HZ3 A:TRP433 5.0 54.2 1.0

Reference:

J.Liu, E.E.Scott. Crystal Structure of Human CYP8B1 in Complex with Tioconazole To Be Published.
Page generated: Thu Aug 8 08:02:56 2024

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