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Zinc in PDB 5fue: Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate, PDB code: 5fue
was solved by
M.Marek,
C.Romier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.145 / 2.20 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.955, 70.669, 98.656, 77.99, 75.41, 85.40 |
| R / Rfree (%) | 14.76 / 19.57 |
Other elements in 5fue:
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate also contains other interesting chemical elements:
| Potassium | (K) | 8 atoms |
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
(pdb code 5fue). 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 3-Benzamido-Benzohydroxamate, PDB code: 5fue:
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 3-Benzamido-Benzohydroxamate, PDB code: 5fue:
Jump to Zinc binding site number: 1; 2; 3; 4;
Zinc binding site 1 out of 4 in 5fue
Go back to
Zinc Binding Sites List in 5fue
Zinc binding site 1 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
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 3-Benzamido-Benzohydroxamate within 5.0Å range:
|
Zinc binding site 2 out of 4 in 5fue
Go back to
Zinc Binding Sites List in 5fue
Zinc binding site 2 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
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 3-Benzamido-Benzohydroxamate within 5.0Å range:
|
Zinc binding site 3 out of 4 in 5fue
Go back to
Zinc Binding Sites List in 5fue
Zinc binding site 3 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
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 3-Benzamido-Benzohydroxamate within 5.0Å range:
|
Zinc binding site 4 out of 4 in 5fue
Go back to
Zinc Binding Sites List in 5fue
Zinc binding site 4 out
of 4 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with 3-Benzamido-Benzohydroxamate
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 3-Benzamido-Benzohydroxamate within 5.0Å range:
|
Reference:
T.Heimburg,
A.Chakrabarti,
J.Lancelot,
M.Marek,
J.Melesina,
A.T.Hauser,
T.B.Shaik,
S.Duclaud,
D.Robaa,
F.Erdmann,
M.Schmidt,
C.Romier,
R.J.Pierce,
M.Jung,
W.Sippl.
Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 From Schistosoma Mansoni For the Treatment of Schistosomiasis. J.Med.Chem. V. 59 2423 2016.
ISSN: ISSN 0022-2623
PubMed: 26937828
DOI: 10.1021/ACS.JMEDCHEM.5B01478
Page generated: Sun Oct 27 16:30:43 2024
ISSN: ISSN 0022-2623
PubMed: 26937828
DOI: 10.1021/ACS.JMEDCHEM.5B01478
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