Iron in PDB 7lrl: Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935))

Enzymatic activity of Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935))

All present enzymatic activity of Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935)):
1.14.14.25;

Protein crystallography data

The structure of Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935)), PDB code: 7lrl was solved by W.Lane, J.Yano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.27 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.241, 63.532, 123.749, 90, 90, 90
R / Rfree (%) 21.9 / 23.7

Iron Binding Sites:

The binding sites of Iron atom in the Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935)) (pdb code 7lrl). 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 Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935)), PDB code: 7lrl:

Iron binding site 1 out of 1 in 7lrl

Go back to Iron Binding Sites List in 7lrl
Iron binding site 1 out of 1 in the Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935))


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Complex CYP46A1 with 7742 (Soticlestat/Tak-935)) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:10.2
occ:1.00
FE A:HEM501 0.0 10.2 1.0
NB A:HEM501 2.0 9.4 1.0
NC A:HEM501 2.0 11.1 1.0
NA A:HEM501 2.0 11.1 1.0
ND A:HEM501 2.1 9.4 1.0
N26 A:YBS502 2.1 8.4 1.0
SG A:CYS437 2.3 9.4 1.0
C27 A:YBS502 3.0 10.4 1.0
C25 A:YBS502 3.0 10.9 1.0
C4B A:HEM501 3.0 11.0 1.0
C1B A:HEM501 3.0 10.7 1.0
C1C A:HEM501 3.0 11.0 1.0
C4C A:HEM501 3.1 10.2 1.0
C4A A:HEM501 3.1 9.8 1.0
C1A A:HEM501 3.1 10.8 1.0
C1D A:HEM501 3.1 8.8 1.0
C4D A:HEM501 3.1 9.8 1.0
CB A:CYS437 3.4 10.5 1.0
CHB A:HEM501 3.4 10.7 1.0
CHC A:HEM501 3.4 11.4 1.0
CHD A:HEM501 3.4 9.7 1.0
CHA A:HEM501 3.4 8.7 1.0
CA A:CYS437 4.1 11.0 1.0
C2B A:HEM501 4.2 10.1 1.0
C3B A:HEM501 4.2 11.1 1.0
C2C A:HEM501 4.3 11.5 1.0
C3C A:HEM501 4.3 11.1 1.0
C2A A:HEM501 4.3 9.0 1.0
C3A A:HEM501 4.3 9.7 1.0
C3D A:HEM501 4.3 7.9 1.0
C2D A:HEM501 4.3 8.8 1.0
C28 A:YBS502 4.3 10.8 1.0
C24 A:YBS502 4.3 10.4 1.0
C23 A:YBS502 4.9 10.7 1.0
C A:CYS437 4.9 11.2 1.0
N A:GLY439 4.9 12.3 1.0

Reference:

T.Koike, M.Yoshikawa, H.K.Ando, W.Farnaby, T.Nishi, E.Watanabe, J.Yano, M.Miyamoto, S.Kondo, T.Ishii, T.Kuroita. Discovery of Soticlestat, A Potent and Selective Inhibitor For Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34387987
DOI: 10.1021/ACS.JMEDCHEM.1C00864
Page generated: Fri Sep 24 14:10:03 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy