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Zinc in PDB 6gx3: Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
Enzymatic activity of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
All present enzymatic activity of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1:
3.5.1.98;
3.5.1.98;
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1, PDB code: 6gx3
was solved by
T.B.Shaik,
M.Marek,
C.Romier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 47.89 / 2.10 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.449, 70.670, 98.413, 75.71, 78.40, 85.55 |
| R / Rfree (%) | 18.9 / 24 |
Other elements in 6gx3:
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1 also contains other interesting chemical elements:
| Potassium | (K) | 8 atoms |
| Chlorine | (Cl) | 8 atoms |
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
(pdb code 6gx3). 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 An Hydroxamate 1, PDB code: 6gx3:
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 An Hydroxamate 1, PDB code: 6gx3:
Jump to Zinc binding site number: 1; 2; 3; 4;
Zinc binding site 1 out of 4 in 6gx3
Go back to
Zinc Binding Sites List in 6gx3
Zinc binding site 1 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
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 An Hydroxamate 1 within 5.0Å range:
|
Zinc binding site 2 out of 4 in 6gx3
Go back to
Zinc Binding Sites List in 6gx3
Zinc binding site 2 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
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 An Hydroxamate 1 within 5.0Å range:
|
Zinc binding site 3 out of 4 in 6gx3
Go back to
Zinc Binding Sites List in 6gx3
Zinc binding site 3 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
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 An Hydroxamate 1 within 5.0Å range:
|
Zinc binding site 4 out of 4 in 6gx3
Go back to
Zinc Binding Sites List in 6gx3
Zinc binding site 4 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with An Hydroxamate 1
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 An Hydroxamate 1 within 5.0Å range:
|
Reference:
T.Bayer,
A.Chakrabarti,
J.Lancelot,
T.B.Shaik,
K.Hausmann,
J.Melesina,
K.Schmidtkunz,
M.Marek,
F.Erdmann,
M.Schmidt,
D.Robaa,
C.Romier,
R.J.Pierce,
M.Jung,
W.Sippl.
Synthesis, Crystallization Studies, and in Vitro Characterization of Cinnamic Acid Derivatives As SMHDAC8 Inhibitors For the Treatment of Schistosomiasis. Chemmedchem V. 13 1517 2018.
ISSN: ESSN 1860-7187
PubMed: 29806110
DOI: 10.1002/CMDC.201800238
Page generated: Mon Oct 28 22:02:08 2024
ISSN: ESSN 1860-7187
PubMed: 29806110
DOI: 10.1002/CMDC.201800238
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