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Atomistry » Sodium » PDB 6rk1-6rzp » 6rot | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Sodium » PDB 6rk1-6rzp » 6rot » |
Sodium in PDB 6rot: Thrombin in Complex with MI2105Enzymatic activity of Thrombin in Complex with MI2105
All present enzymatic activity of Thrombin in Complex with MI2105:
3.4.21.5; Protein crystallography data
The structure of Thrombin in Complex with MI2105, PDB code: 6rot
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 6rot:
The structure of Thrombin in Complex with MI2105 also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Thrombin in Complex with MI2105
(pdb code 6rot). 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 in Complex with MI2105, PDB code: 6rot: Jump to Sodium binding site number: 1; 2; Sodium binding site 1 out of 2 in 6rotGo back to Sodium Binding Sites List in 6rot
Sodium binding site 1 out
of 2 in the Thrombin in Complex with MI2105
Mono view Stereo pair view
Sodium binding site 2 out of 2 in 6rotGo back to Sodium Binding Sites List in 6rot
Sodium binding site 2 out
of 2 in the Thrombin in Complex with MI2105
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: Tue Oct 8 13:18:16 2024
ISSN: ISSN 0022-2623 PubMed: 31633354 DOI: 10.1021/ACS.JMEDCHEM.9B01196 |
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