Calcium in PDB 7pb5: Crystal Structure of CD73 in Complex with Ump in the Open Form

All present enzymatic activity of Crystal Structure of CD73 in Complex with Ump in the Open Form:
3.1.3.5;

The structure of Crystal Structure of CD73 in Complex with Ump in the Open Form, PDB code: 7pb5 was solved by E.R.Scaletti, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.20 / 1.28
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.227, 131.648, 66.173, 90, 90, 90
R / Rfree (%)	12.6 / 15.8

The structure of Crystal Structure of CD73 in Complex with Ump in the Open Form also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of CD73 in Complex with Ump in the Open Form (pdb code 7pb5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of CD73 in Complex with Ump in the Open Form, PDB code: 7pb5:

Calcium binding site 1 out of 1 in the Crystal Structure of CD73 in Complex with Ump in the Open Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of CD73 in Complex with Ump in the Open Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:14.8 occ:1.00 O A:HOH745 2.3 20.6 1.0 O A:ASN213 2.4 14.9 1.0 O A:GLY298 2.4 15.4 1.0 O A:HOH881 2.4 16.9 1.0 OD1 A:ASP237 2.4 13.2 1.0 O A:HOH977 2.4 28.2 1.0 OD2 A:ASP237 2.5 10.8 1.0 CG A:ASP237 2.8 10.7 1.0 C A:GLY298 3.4 14.2 1.0 C A:ASN213 3.5 13.0 1.0 CA A:GLY298 4.1 15.0 1.0 O A:GLY235 4.3 13.4 1.0 CB A:ASP237 4.3 10.0 1.0 N A:LYS214 4.3 11.4 1.0 N A:ASN299 4.3 15.9 1.0 CA A:LYS214 4.3 10.8 1.0 O A:HOH801 4.3 18.3 1.0 CA A:ASN213 4.4 14.6 1.0 CA A:ASN299 4.6 15.4 1.0 O A:ARG297 4.7 20.5 1.0 O A:HOH976 4.7 22.1 1.0 N A:ILE215 4.8 9.9 1.0 NH2 A:ARG273 4.8 35.1 1.0 CB A:ASN213 4.9 15.3 1.0 ND2 A:ASN299 4.9 23.3 1.0

E.Scaletti, F.U.Huschmann, U.Mueller, M.S.Weiss, N.Strater. Substrate Binding Modes of Purine and Pyrimidine Nucleotides to Human Ecto-5'-Nucleotidase (CD73) and Inhibition By Their Bisphosphonic Acid Derivatives. Purinergic Signal 2021.
ISSN: ISSN 1573-9546
PubMed: 34403084
DOI: 10.1007/S11302-021-09802-W