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Potassium in PDB 6tld: Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2, PDB code: 6tld
was solved by
T.B.Shaik,
C.Romier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 1.61 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.640, 70.720, 98.050, 78.08, 75.69, 85.72 |
| R / Rfree (%) | 16.6 / 19.5 |
Other elements in 6tld:
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 also contains other interesting chemical elements:
| Zinc | (Zn) | 4 atoms |
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
(pdb code 6tld). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2, PDB code: 6tld:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Potassium where determined in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2, PDB code: 6tld:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Potassium binding site 1 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 1 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 2 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 2 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 3 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 3 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 4 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 4 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 5 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 5 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 5 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 6 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 6 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 6 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 7 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 7 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 7 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Potassium binding site 8 out of 8 in 6tld
Go back to
Potassium Binding Sites List in 6tld
Potassium binding site 8 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Potassium with other atoms in the K binding
site number 8 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A Triazole Hydroxamate Inhibitor 2 within 5.0Å range:
|
Reference:
R.Holl,
D.V.Kalinin,
S.K.Jana,
M.Pfafenrot,
A.Chakrabarti,
J.Melesina,
T.B.Shaik,
J.Lancelot,
R.J.Pierce,
W.Sippl,
C.Romier,
M.Jung.
Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based SMHDAC8 Inhibitors. Chemmedchem 2019.
ISSN: ESSN 1860-7187
PubMed: 31816172
DOI: 10.1002/CMDC.201900583
Page generated: Mon Dec 14 01:39:52 2020
ISSN: ESSN 1860-7187
PubMed: 31816172
DOI: 10.1002/CMDC.201900583
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