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Chlorine 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 |
| Iron | (Fe) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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 Chlorine 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:
Chlorine binding site 1 out of 1 in 5l01
Go back to
Chlorine Binding Sites List in 5l01
Chlorine 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 Chlorine with other atoms in the Cl 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: Sat Dec 12 11:57:52 2020
ISSN: ESSN 1464-3405
PubMed: 28041831
DOI: 10.1016/J.BMCL.2016.12.053
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