Atomistry » Silicon » PDB 1fuq-6y7o » 4mpx
Atomistry »
  Silicon »
    PDB 1fuq-6y7o »
      4mpx »

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;

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;

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

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:
probe atom residue distance (Å) B Occ
B:Si301

b:60.5
occ:0.90
SI2 B:2AV301 0.0 60.5 0.9
O4 B:2AV301 1.6 65.8 1.0
C3 B:2AV301 1.9 58.7 1.0
C1 B:2AV301 1.9 55.1 1.0
C33 B:2AV301 1.9 46.5 1.0
C41 B:2AV301 2.8 40.1 1.0
C34 B:2AV301 2.9 44.9 1.0
SI5 B:2AV301 2.9 57.9 0.9
C40 B:2AV301 3.2 37.9 1.0
C6 B:2AV301 3.6 58.5 1.0
O B:HOH530 3.8 52.4 1.0
C7 B:2AV301 3.9 56.5 1.0
C37 B:2AV301 4.1 44.1 1.0
C45 B:2AV301 4.2 46.1 1.0
C8 B:2AV301 4.2 47.6 1.0
C9 B:2AV301 4.4 49.0 1.0
O B:HOH458 4.5 35.0 1.0
C39 B:2AV301 4.6 36.1 1.0
C36 B:2AV301 4.7 45.2 1.0

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

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:
probe atom residue distance (Å) B Occ
B:Si301

b:57.9
occ:0.90
SI5 B:2AV301 0.0 57.9 0.9
O4 B:2AV301 1.6 65.8 1.0
C6 B:2AV301 1.9 58.5 1.0
C8 B:2AV301 1.9 47.6 1.0
C7 B:2AV301 1.9 56.5 1.0
C16 B:2AV301 2.8 43.4 1.0
C9 B:2AV301 2.9 49.0 1.0
SI2 B:2AV301 2.9 60.5 0.9
C15 B:2AV301 3.1 41.6 1.0
C3 B:2AV301 3.5 58.7 1.0
C1 B:2AV301 3.6 55.1 1.0
C12 B:2AV301 4.1 47.7 1.0
C10 B:2AV301 4.2 48.1 1.0
C14 B:2AV301 4.5 40.4 1.0
C33 B:2AV301 4.5 46.5 1.0
C11 B:2AV301 4.7 46.3 1.0
O B:HOH530 4.7 52.4 1.0
C34 B:2AV301 4.8 44.9 1.0

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: Wed Dec 16 02:09:33 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy