Iron »
PDB 5ktr-5lg2 »
5l01 »
Iron in PDB 5l01: Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid
Enzymatic activity of Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid
All present enzymatic activity of Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid:
1.14.16.4;
1.14.16.4;
Protein crystallography data
The structure of Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid, PDB code: 5l01
was solved by
A.J.Stein,
D.R.Goldberg,
S.De Lombaert,
M.C.Holt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 38.56 / 1.90 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 47.302, 58.167, 56.678, 90.00, 97.49, 90.00 |
| R / Rfree (%) | 16.9 / 21.4 |
Other elements in 5l01:
The structure of Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid also contains other interesting chemical elements:
| Fluorine | (F) | 3 atoms |
| Chlorine | (Cl) | 1 atom |
Iron Binding Sites:
The binding sites of Iron atom in the Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid
(pdb code 5l01). 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 Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid, PDB code: 5l01:
In total only one binding site of Iron was determined in the Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid, PDB code: 5l01:
Iron binding site 1 out of 1 in 5l01
Go back to
Iron Binding Sites List in 5l01
Iron binding site 1 out
of 1 in the Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Tryptophan 5-Hydroxylase in Complex with Inhibitor (3~{S})-8-[2- Azanyl-6-[(1~{R})-1-(4-Chloranyl-2-Phenyl-Phenyl)-2,2,2- Tris(Fluoranyl)Ethoxy]Pyrimidin-4-Yl]-2,8-Diazaspiro[4.5]Decane-3- Carboxylic Acid within 5.0Å range:
|
Reference:
D.R.Goldberg,
S.De Lombaert,
R.Aiello,
P.Bourassa,
N.Barucci,
Q.Zhang,
V.Paralkar,
A.J.Stein,
M.Holt,
J.Valentine,
W.Zavadoski.
Optimization of Spirocyclic Proline Tryptophan Hydroxylase-1 Inhibitors. Bioorg. Med. Chem. Lett. V. 27 413 2017.
ISSN: ESSN 1464-3405
PubMed: 28041831
DOI: 10.1016/J.BMCL.2016.12.053
Page generated: Sun Dec 13 16:06:28 2020
ISSN: ESSN 1464-3405
PubMed: 28041831
DOI: 10.1016/J.BMCL.2016.12.053
Last articles
Zn in 8WB0Zn 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
