Chlorine in PDB 7pa4: Crystal Structure of CD73 in Complex with Cmp in the Open Form

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

The structure of Crystal Structure of CD73 in Complex with Cmp in the Open Form, PDB code: 7pa4 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)	47.44 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.569, 131.676, 66.493, 90, 90, 90
R / Rfree (%)	11.9 / 16.1

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

Zinc	(Zn)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of CD73 in Complex with Cmp in the Open Form (pdb code 7pa4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of CD73 in Complex with Cmp in the Open Form, PDB code: 7pa4:

Chlorine binding site 1 out of 1 in the Crystal Structure of CD73 in Complex with Cmp in the Open Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of CD73 in Complex with Cmp in the Open Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:20.4 occ:1.00 O A:HOH1180 3.1 32.2 1.0 O A:HOH889 3.1 12.8 1.0 O A:HOH1165 3.1 19.3 1.0 N A:GLU224 3.4 10.0 1.0 N A:PHE223 3.6 10.3 1.0 CG A:GLU224 3.8 15.0 1.0 C A:GLY222 3.8 8.5 1.0 CB A:GLU224 3.9 15.4 1.0 CA A:GLY222 3.9 8.2 1.0 CB A:SER244 4.0 9.4 1.0 OG A:SER244 4.2 10.2 1.0 CA A:GLU224 4.2 12.2 1.0 CA A:PHE223 4.3 10.4 1.0 C A:PHE223 4.3 10.8 1.0 CB A:PHE223 4.5 10.5 1.0 O A:GLY222 4.6 11.0 1.0 O A:HOH743 4.8 23.8 1.0 O A:SER221 4.9 10.3 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