Zinc in PDB 4h2g: Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine

All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine:
3.1.3.5;

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine, PDB code: 4h2g was solved by N.Straeter, K.M.Knapp, M.Zebisch, J.Pippel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.18 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.100, 131.000, 66.010, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 18

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine (pdb code 4h2g). 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): Crystal Form II (Open) in Complex with Adenosine, PDB code: 4h2g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine


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): Crystal Form II (Open) in Complex with Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:11.9 occ:1.00 O A:HOH772 2.0 9.6 1.0 NE2 A:HIS220 2.0 7.1 1.0 OD1 A:ASN117 2.0 9.0 1.0 ND1 A:HIS243 2.2 8.9 1.0 OD2 A:ASP85 2.4 6.6 1.0 CD2 A:HIS220 3.0 6.9 1.0 CE1 A:HIS220 3.1 7.7 1.0 CE1 A:HIS243 3.1 13.1 1.0 CG A:ASP85 3.1 5.6 1.0 CG A:ASN117 3.1 6.9 1.0 CG A:HIS243 3.2 9.1 1.0 ZN A:ZN602 3.3 12.6 0.5 O A:HOH742 3.3 14.4 1.0 OD1 A:ASP85 3.5 8.5 1.0 CA A:HIS243 3.5 7.0 1.0 ND2 A:ASN117 3.6 10.3 1.0 CB A:HIS243 3.7 7.9 1.0 OD1 A:ASP36 3.7 7.2 1.0 O A:HIS243 4.1 10.3 1.0 O A:HOH718 4.1 11.6 1.0 CG A:HIS220 4.1 6.7 1.0 ND1 A:HIS220 4.2 8.0 1.0 NE2 A:HIS243 4.2 13.2 1.0 C A:HIS243 4.3 8.1 1.0 CB A:ASP85 4.3 7.2 1.0 CD2 A:HIS243 4.3 8.8 1.0 N A:ASN117 4.4 5.8 1.0 CB A:ASN117 4.4 7.4 1.0 CD2 A:HIS118 4.5 9.1 1.0 N A:HIS243 4.5 7.5 1.0 O A:HOH813 4.8 18.1 1.0 CG A:ASP36 4.8 6.9 1.0 O A:HOH704 4.9 10.8 1.0 CA A:ASN117 5.0 5.4 1.0

Zinc binding site 2 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Adenosine


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): Crystal Form II (Open) in Complex with Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:12.6 occ:0.50 O A:HOH704 2.1 10.8 1.0 OD1 A:ASP36 2.1 7.2 1.0 O A:HOH772 2.1 9.6 1.0 NE2 A:HIS38 2.1 8.4 1.0 OD2 A:ASP85 2.2 6.6 1.0 O A:HOH718 2.2 11.6 1.0 CE1 A:HIS38 3.1 9.1 1.0 CG A:ASP85 3.1 5.6 1.0 CD2 A:HIS38 3.2 9.5 1.0 CG A:ASP36 3.2 6.9 1.0 ZN A:ZN601 3.3 11.9 1.0 CB A:ASP85 3.5 7.2 1.0 CB A:ASP36 3.8 7.0 1.0 OG A:SER520 3.8 12.5 1.0 CD2 A:HIS118 4.1 9.1 1.0 O A:HOH742 4.1 14.4 1.0 OD1 A:ASN245 4.2 11.4 1.0 O A:HOH766 4.2 20.6 1.0 ND1 A:HIS38 4.2 9.2 1.0 NE2 A:HIS220 4.3 7.1 1.0 OD2 A:ASP36 4.3 8.2 1.0 OD1 A:ASP85 4.3 8.5 1.0 CG A:HIS38 4.3 6.7 1.0 O A:HIS243 4.3 10.3 1.0 CE1 A:HIS220 4.4 7.7 1.0 O A:HOH735 4.4 13.6 1.0 CA A:ASP36 4.4 6.9 1.0 CA A:HIS243 4.6 7.0 1.0 NE2 A:HIS118 4.7 8.3 1.0 O A:HOH749 4.8 18.1 1.0 OD1 A:ASN117 4.8 9.0 1.0 C A:HIS243 4.9 8.1 1.0 CA A:ASP85 5.0 6.4 1.0 ND1 A:HIS243 5.0 8.9 1.0 CB A:SER520 5.0 9.6 1.0

K.Knapp, M.Zebisch, J.Pippel, A.El-Tayeb, C.E.Muller, N.Strater. Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights Into the Regulation of Purinergic Signaling. Structure V. 20 2161 2012.
ISSN: ISSN 0969-2126
PubMed: 23142347
DOI: 10.1016/J.STR.2012.10.001