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Chlorine 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:
| Sodium | (Na) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was 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:
In total only one binding site of Chlorine was 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:
Chlorine binding site 1 out of 1 in 5mjt
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Chlorine Binding Sites List in 5mjt
Chlorine binding site 1 out
of 1 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 Chlorine with other atoms in the Cl 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:
|
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: Fri Jul 26 12:45:08 2024
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