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Silicon in PDB 4mpx: Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone)
Enzymatic activity of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone)
All present enzymatic activity of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone):
3.4.21.59;
3.4.21.59;
Protein crystallography data
The structure of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone), PDB code: 4mpx
was solved by
A.White,
A.J.Stein,
R.Suto,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.78 / 2.00 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 78.310, 78.310, 165.722, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 18.4 / 23.3 |
Other elements in 4mpx:
The structure of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone) also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Silicon Binding Sites:
The binding sites of Silicon atom in the Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone)
(pdb code 4mpx). This binding sites where shown within
5.0 Angstroms radius around Silicon atom.
In total 2 binding sites of Silicon where determined in the Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone), PDB code: 4mpx:
Jump to Silicon binding site number: 1; 2;
In total 2 binding sites of Silicon where determined in the Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone), PDB code: 4mpx:
Jump to Silicon binding site number: 1; 2;
Silicon binding site 1 out of 2 in 4mpx
Go back to
Silicon Binding Sites List in 4mpx
Silicon binding site 1 out
of 2 in the Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone)
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Silicon with other atoms in the Si binding
site number 1 of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone) within 5.0Å range:
|
Silicon binding site 2 out of 2 in 4mpx
Go back to
Silicon Binding Sites List in 4mpx
Silicon binding site 2 out
of 2 in the Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone)
Mono view
Stereo pair view
Mono view
Stereo pair view
|
|
A full contact list of Silicon with other atoms in the Si binding
site number 2 of Human Beta-Tryptase Co-Crystal Structure with [(1,1,3,3- Tetramethyldisiloxane-1,3-Diyl)Di-1-Benzothiene-4,2-Diyl]Bis({4-[3- (Aminomethyl)Phenyl]Piperidin-1-Yl}Methanone) within 5.0Å range:
|
Reference:
S.F.Giardina,
M.Pingle,
K.W.Foreman,
D.S.Werner,
D.E.Bergstrom,
F.Barany,
L.D.Arnold.
Target-Directed Self-Assembly of Homodimeric Drugs To Be Published.
Page generated: Thu Oct 10 13:21:47 2024
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