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Chlorine in PDB 5ahg: Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine
Enzymatic activity of Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine
All present enzymatic activity of Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine:
3.4.21.5;
3.4.21.5;
Protein crystallography data
The structure of Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine, PDB code: 5ahg
was solved by
E.Ruehmann,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.41 / 1.24 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.222, 71.263, 72.216, 90.00, 100.48, 90.00 |
| R / Rfree (%) | 12.3 / 14.4 |
Other elements in 5ahg:
The structure of Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine also contains other interesting chemical elements:
| Sodium | (Na) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine
(pdb code 5ahg). 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 ((4-Chlorophenyl)Sulfamoyl))Diemethylamine, PDB code: 5ahg:
In total only one binding site of Chlorine was determined in the Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine, PDB code: 5ahg:
Chlorine binding site 1 out of 1 in 5ahg
Go back to
Chlorine Binding Sites List in 5ahg
Chlorine binding site 1 out
of 1 in the Thrombin in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine
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 in Complex with ((4-Chlorophenyl)Sulfamoyl))Diemethylamine within 5.0Å range:
|
Reference:
E.Ruehmann,
M.Betz,
A.Heine,
G.Klebe.
Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem. V. 58 6960 2015.
ISSN: ISSN 0022-2623
PubMed: 26270568
DOI: 10.1021/ACS.JMEDCHEM.5B00812
Page generated: Fri Jul 26 05:15:37 2024
ISSN: ISSN 0022-2623
PubMed: 26270568
DOI: 10.1021/ACS.JMEDCHEM.5B00812
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