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Calcium in PDB 5m5f: Thermolysin in Complex with Inhibitor and Krypton
Enzymatic activity of Thermolysin in Complex with Inhibitor and Krypton
All present enzymatic activity of Thermolysin in Complex with Inhibitor and Krypton:
3.4.24.27;
3.4.24.27;
Protein crystallography data
The structure of Thermolysin in Complex with Inhibitor and Krypton, PDB code: 5m5f
was solved by
S.G.Krimmer,
J.Cramer,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.55 / 1.33 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 92.428, 92.428, 130.192, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 11.1 / 13.9 |
Other elements in 5m5f:
The structure of Thermolysin in Complex with Inhibitor and Krypton also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
| Krypton | (Kr) | 2 atoms |
Calcium Binding Sites:
The binding sites of Calcium atom in the Thermolysin in Complex with Inhibitor and Krypton
(pdb code 5m5f). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Thermolysin in Complex with Inhibitor and Krypton, PDB code: 5m5f:
Jump to Calcium binding site number: 1; 2; 3; 4;
In total 4 binding sites of Calcium where determined in the Thermolysin in Complex with Inhibitor and Krypton, PDB code: 5m5f:
Jump to Calcium binding site number: 1; 2; 3; 4;
Calcium binding site 1 out of 4 in 5m5f
Go back to
Calcium Binding Sites List in 5m5f
Calcium binding site 1 out
of 4 in the Thermolysin in Complex with Inhibitor and Krypton
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Thermolysin in Complex with Inhibitor and Krypton within 5.0Å range:
|
Calcium binding site 2 out of 4 in 5m5f
Go back to
Calcium Binding Sites List in 5m5f
Calcium binding site 2 out
of 4 in the Thermolysin in Complex with Inhibitor and Krypton
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Thermolysin in Complex with Inhibitor and Krypton within 5.0Å range:
|
Calcium binding site 3 out of 4 in 5m5f
Go back to
Calcium Binding Sites List in 5m5f
Calcium binding site 3 out
of 4 in the Thermolysin in Complex with Inhibitor and Krypton
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Thermolysin in Complex with Inhibitor and Krypton within 5.0Å range:
|
Calcium binding site 4 out of 4 in 5m5f
Go back to
Calcium Binding Sites List in 5m5f
Calcium binding site 4 out
of 4 in the Thermolysin in Complex with Inhibitor and Krypton
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Thermolysin in Complex with Inhibitor and Krypton within 5.0Å range:
|
Reference:
S.G.Krimmer,
J.Cramer,
J.Schiebel,
A.Heine,
G.Klebe.
How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. J. Am. Chem. Soc. V. 139 10419 2017.
ISSN: ESSN 1520-5126
PubMed: 28696673
DOI: 10.1021/JACS.7B05028
Page generated: Mon Jul 15 07:55:50 2024
ISSN: ESSN 1520-5126
PubMed: 28696673
DOI: 10.1021/JACS.7B05028
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