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Sodium in PDB 8ai7: Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate
Enzymatic activity of Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate
All present enzymatic activity of Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate:
3.1.1.8;
3.1.1.8;
Protein crystallography data
The structure of Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate, PDB code: 8ai7
was solved by
X.Brazzolotto,
A.Meden,
D.Knez,
S.Gobec,
F.Nachon,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.34 / 2.13 |
| Space group | I 4 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 154.455, 154.455, 128.28, 90, 90, 90 |
| R / Rfree (%) | 17.7 / 21.8 |
Other elements in 8ai7:
The structure of Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate also contains other interesting chemical elements:
| Chlorine | (Cl) | 7 atoms |
Sodium Binding Sites:
The binding sites of Sodium atom in the Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate
(pdb code 8ai7). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate, PDB code: 8ai7:
In total only one binding site of Sodium was determined in the Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate, PDB code: 8ai7:
Sodium binding site 1 out of 1 in 8ai7
Go back to
Sodium Binding Sites List in 8ai7
Sodium binding site 1 out
of 1 in the Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Structure of Carbamoylated Human Butyrylcholinesterase Upon Reaction with 3-(((2-Cycloheptylethyl)(Methyl)Amino)Methyl)-1H-Indol-7-Yl N,N- Dimethylcarbamate within 5.0Å range:
|
Reference:
A.Meden,
D.Knez,
X.Brazzolotto,
F.Modeste,
A.Perdih,
A.Pislar,
M.Zorman,
M.Zorovic,
M.Denic,
S.Pajk,
M.Zivin,
F.Nachon,
S.Gobec.
Pseudo-Irreversible Butyrylcholinesterase Inhibitors: Structure-Activity Relationships, Computational and Crystallographic Study of the N-Dialkyl O-Arylcarbamate Warhead. Eur.J.Med.Chem. V. 247 15048 2023.
ISSN: ISSN 0223-5234
PubMed: 36586299
DOI: 10.1016/J.EJMECH.2022.115048
Page generated: Wed Oct 9 10:32:42 2024
ISSN: ISSN 0223-5234
PubMed: 36586299
DOI: 10.1016/J.EJMECH.2022.115048
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