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Sodium in PDB 5mjt: Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide
Enzymatic activity of Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide
All present enzymatic activity of Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide:
3.4.21.5;
3.4.21.5;
Protein crystallography data
The structure of Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide, PDB code: 5mjt
was solved by
A.Marca,
A.Sandner,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.50 / 1.40 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 69.492, 71.613, 72.129, 90.00, 99.73, 90.00 |
| R / Rfree (%) | 14.8 / 17.2 |
Other elements in 5mjt:
The structure of Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Sodium Binding Sites:
The binding sites of Sodium atom in the Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide
(pdb code 5mjt). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide, PDB code: 5mjt:
Jump to Sodium binding site number: 1; 2;
In total 2 binding sites of Sodium where determined in the Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide, PDB code: 5mjt:
Jump to Sodium binding site number: 1; 2;
Sodium binding site 1 out of 2 in 5mjt
Go back to
Sodium Binding Sites List in 5mjt
Sodium binding site 1 out
of 2 in the Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide
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 Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide within 5.0Å range:
|
Sodium binding site 2 out of 2 in 5mjt
Go back to
Sodium Binding Sites List in 5mjt
Sodium binding site 2 out
of 2 in the Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide
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 2 of Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3- Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide within 5.0Å range:
|
Reference:
A.Marca,
K.Ngo,
A.Sandner,
A.Heine,
G.Klebe.
Thrombin Mutant A190S in Complex with (S) -1 - ((R) -2-Amino-3,3-Diphenylpropanoyl) -N- (3-Chlorobenzyl) Pyrrolidine-2-Carboxamide To Be Published.
Page generated: Mon Aug 18 01:08:36 2025
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