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Atomistry » Chlorine » PDB 5jen-5jkc » 5jfd | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5jen-5jkc » 5jfd » |
Chlorine in PDB 5jfd: Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-CarboxamideEnzymatic activity of Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide
All present enzymatic activity of Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide:
3.4.21.5; Protein crystallography data
The structure of Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide, PDB code: 5jfd
was solved by
A.Sandner,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5jfd:
The structure of Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide
(pdb code 5jfd). 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 in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide, PDB code: 5jfd: Chlorine binding site 1 out of 1 in 5jfdGo back to![]() ![]()
Chlorine binding site 1 out
of 1 in the Thrombin in Complex with (S)-N-(2-(Aminomethyl)-5-Chlorobenzyl)-1- ((Benzylsulfonyl)-D-Arginyl)Pyrrolidine-2-Carboxamide
![]() Mono view ![]() Stereo pair view
Reference:
A.Sandner,
T.Hufner-Wulsdorf,
A.Heine,
T.Steinmetzer,
G.Klebe.
Strategies For Late-Stage Optimization: Profiling Thermodynamics By Preorganization and Salt Bridge Shielding. J.Med.Chem. V. 62 9753 2019.
Page generated: Sat Jul 12 03:35:31 2025
ISSN: ISSN 0022-2623 PubMed: 31633354 DOI: 10.1021/ACS.JMEDCHEM.9B01196 |
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