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Potassium in PDB 6fu1: Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
Enzymatic activity of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
All present enzymatic activity of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate:
3.5.1.98;
3.5.1.98;
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate, PDB code: 6fu1
was solved by
M.Marek,
T.B.Shaik,
C.Romier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 41.96 / 1.55 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.710, 70.690, 99.190, 75.33, 77.78, 84.80 |
| R / Rfree (%) | 19.9 / 22.3 |
Other elements in 6fu1:
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate also contains other interesting chemical elements:
| Chlorine | (Cl) | 3 atoms |
| Zinc | (Zn) | 4 atoms |
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
(pdb code 6fu1). 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 N- Alkyl Hydroxamate, PDB code: 6fu1:
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 N- Alkyl Hydroxamate, PDB code: 6fu1:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Potassium binding site 1 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 1 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 2 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 2 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 3 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 3 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 4 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 4 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 5 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 5 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 6 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 6 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 7 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 7 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Potassium binding site 8 out of 8 in 6fu1
Go back to
Potassium Binding Sites List in 6fu1
Potassium binding site 8 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate
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 N- Alkyl Hydroxamate within 5.0Å range:
|
Reference:
C.V.Simoben,
D.Robaa,
A.Chakrabarti,
K.Schmidtkunz,
M.Marek,
J.Lancelot,
S.Kannan,
J.Melesina,
T.B.Shaik,
R.J.Pierce,
C.Romier,
M.Jung,
W.Sippl.
A Novel Class of Schistosoma Mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified By Structure-Based Virtual Screening and in Vitro Testing. Molecules V. 23 2018.
ISSN: ESSN 1420-3049
PubMed: 29498707
DOI: 10.3390/MOLECULES23030566
Page generated: Mon Aug 12 16:08:06 2024
ISSN: ESSN 1420-3049
PubMed: 29498707
DOI: 10.3390/MOLECULES23030566
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