Zinc 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:
| Potassium | (K) | 8 atoms |
| Chlorine | (Cl) | 3 atoms |
Zinc Binding Sites:
The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate, PDB code: 6fu1:
Jump to Zinc binding site number: 1; 2; 3; 4;
In total 4 binding sites of Zinc where determined in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate, PDB code: 6fu1:
Jump to Zinc binding site number: 1; 2; 3; 4;
Zinc binding site 1 out of 4 in 6fu1
Go back to
Zinc Binding Sites List in 6fu1
Zinc binding site 1 out
of 4 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 Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate within 5.0Å range:
|
Zinc binding site 2 out of 4 in 6fu1
Go back to
Zinc Binding Sites List in 6fu1
Zinc binding site 2 out
of 4 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 Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate within 5.0Å range:
|
Zinc binding site 3 out of 4 in 6fu1
Go back to
Zinc Binding Sites List in 6fu1
Zinc binding site 3 out
of 4 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 Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with A N- Alkyl Hydroxamate within 5.0Å range:
|
Zinc binding site 4 out of 4 in 6fu1
Go back to
Zinc Binding Sites List in 6fu1
Zinc binding site 4 out
of 4 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 Zinc with other atoms in the Zn binding
site number 4 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: Wed Dec 16 11:49:25 2020
ISSN: ESSN 1420-3049
PubMed: 29498707
DOI: 10.3390/MOLECULES23030566
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