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Zinc in PDB 6z9b: Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III)
Enzymatic activity of Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III)
All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III):
3.1.3.5;
3.1.3.5;
Protein crystallography data
The structure of Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III), PDB code: 6z9b
was solved by
N.Strater,
E.Scaletti,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.23 / 2.17 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.240, 96.450, 235.170, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 20.8 / 26.3 |
Other elements in 6z9b:
The structure of Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III) also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
| Calcium | (Ca) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Zinc Binding Sites:
The binding sites of Zinc atom in the Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III)
(pdb code 6z9b). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III), PDB code: 6z9b:
Jump to Zinc binding site number: 1; 2;
In total 2 binding sites of Zinc where determined in the Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III), PDB code: 6z9b:
Jump to Zinc binding site number: 1; 2;
Zinc binding site 1 out of 2 in 6z9b
Go back to
Zinc Binding Sites List in 6z9b
Zinc binding site 1 out
of 2 in the Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III)
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 Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III) within 5.0Å range:
|
Zinc binding site 2 out of 2 in 6z9b
Go back to
Zinc Binding Sites List in 6z9b
Zinc binding site 2 out
of 2 in the Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III)
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 Human Ecto-5'-Nucleotidase (CD73) in Complex with Aopcp Derivative A830 (Compound 16 in Publication) in the Closed Form (Crystal Form III) within 5.0Å range:
|
Reference:
K.V.Lawson,
J.Kalisiak,
E.A.Lindsey,
E.T.Newcomb,
M.R.Leleti,
L.Debien,
B.R.Rosen,
D.H.Miles,
E.U.Sharif,
J.L.Jeffrey,
J.B.L.Tan,
A.Chen,
S.Zhao,
G.Xu,
L.Fu,
L.Jin,
T.W.Park,
W.Berry,
S.Moschutz,
E.Scaletti,
N.Strater,
N.P.Walker,
S.W.Young,
M.J.Walters,
U.Schindler,
J.P.Powers.
Discovery of AB680: A Potent and Selective Inhibitor of CD73. J.Med.Chem. V. 63 11448 2020.
ISSN: ISSN 0022-2623
PubMed: 32614585
DOI: 10.1021/ACS.JMEDCHEM.0C00525
Page generated: Tue Oct 29 15:33:10 2024
ISSN: ISSN 0022-2623
PubMed: 32614585
DOI: 10.1021/ACS.JMEDCHEM.0C00525
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