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Zinc in PDB 6twa: Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State
Enzymatic activity of Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State
All present enzymatic activity of Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State:
3.1.3.5;
3.1.3.5;
Protein crystallography data
The structure of Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State, PDB code: 6twa
was solved by
J.Pippel,
N.Strater,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 46.98 / 2.00 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.938, 95.641, 233.642, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.8 / 23 |
Other elements in 6twa:
The structure of Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State also contains other interesting chemical elements:
| Calcium | (Ca) | 1 atom |
Zinc Binding Sites:
The binding sites of Zinc atom in the Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State
(pdb code 6twa). 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 CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State, PDB code: 6twa:
Jump to Zinc binding site number: 1; 2;
In total 2 binding sites of Zinc where determined in the Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State, PDB code: 6twa:
Jump to Zinc binding site number: 1; 2;
Zinc binding site 1 out of 2 in 6twa
Go back to
Zinc Binding Sites List in 6twa
Zinc binding site 1 out
of 2 in the Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State
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 CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State within 5.0Å range:
|
Zinc binding site 2 out of 2 in 6twa
Go back to
Zinc Binding Sites List in 6twa
Zinc binding site 2 out
of 2 in the Human CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State
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 CD73 (Ecto 5'-Nucleotidase) in Complex with PSB12646 (An Aopcp Derivative, Compound 20 in Publication) in the Closed State within 5.0Å range:
|
Reference:
S.Bhattarai,
J.Pippel,
E.R.Scaletti,
R.Idris,
M.Freundlieb,
G.Rolshoven,
C.Renn,
S.Y.Lee,
A.Abdelrahman,
H.Zimmermann,
A.El-Tayeb,
C.E.Muller,
N.Strater.
2-Substituted Alpha , Beta Methylene-Adp Derivatives: Potent Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32045236
DOI: 10.1021/ACS.JMEDCHEM.9B01611
Page generated: Tue Oct 29 08:16:38 2024
ISSN: ISSN 0022-2623
PubMed: 32045236
DOI: 10.1021/ACS.JMEDCHEM.9B01611
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