Zinc in PDB 4h2i: Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp

All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp:
3.1.3.5;

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp, PDB code: 4h2i 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)	24.22 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.160, 94.860, 234.280, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.5

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp 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 III (Closed) in Complex with Ampcp (pdb code 4h2i). 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 III (Closed) in Complex with Ampcp, PDB code: 4h2i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp


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 III (Closed) in Complex with Ampcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:22.0 occ:1.00 O A:HOH758 1.9 21.3 1.0 OD2 A:ASP36 2.0 21.0 1.0 NE2 A:HIS38 2.0 22.9 1.0 O1B A:A12603 2.1 25.4 1.0 OD2 A:ASP85 2.1 21.6 1.0 CD2 A:HIS38 2.9 22.0 1.0 CG A:ASP36 3.0 20.5 1.0 CG A:ASP85 3.0 22.4 1.0 CE1 A:HIS38 3.1 24.3 1.0 PB A:A12603 3.2 22.8 1.0 CB A:ASP85 3.3 21.2 1.0 CB A:ASP36 3.4 19.5 1.0 ZN A:ZN602 3.7 22.6 1.0 O3B A:A12603 3.8 23.7 1.0 CG A:HIS38 4.1 23.4 1.0 CA A:ASP36 4.1 20.5 1.0 C3A A:A12603 4.1 24.7 1.0 ND1 A:HIS38 4.1 23.6 1.0 OD1 A:ASN245 4.1 24.4 1.0 OD1 A:ASP36 4.1 21.6 1.0 OD1 A:ASP85 4.2 23.7 1.0 NH1 A:ARG395 4.2 28.1 1.0 CD2 A:HIS118 4.2 28.0 1.0 O1A A:A12603 4.2 24.8 1.0 O2B A:A12603 4.4 23.0 1.0 CE1 A:HIS220 4.4 18.6 1.0 NE2 A:HIS220 4.6 19.2 1.0 NE2 A:HIS118 4.7 28.3 1.0 CA A:ASP85 4.8 21.5 1.0 O A:HIS243 4.8 28.2 1.0 PA A:A12603 4.8 25.1 1.0 O A:ASP85 4.9 21.4 1.0 CA A:HIS243 4.9 21.0 1.0

Zinc binding site 2 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp


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 III (Closed) in Complex with Ampcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:22.6 occ:1.00 OD1 A:ASN117 1.9 23.0 1.0 O3B A:A12603 2.1 23.7 1.0 NE2 A:HIS220 2.1 19.2 1.0 ND1 A:HIS243 2.2 22.6 1.0 OD2 A:ASP85 2.2 21.6 1.0 CG A:ASN117 2.9 26.3 1.0 CE1 A:HIS243 2.9 26.1 1.0 CG A:ASP85 3.0 22.4 1.0 CD2 A:HIS220 3.0 19.1 1.0 CE1 A:HIS220 3.1 18.6 1.0 OD1 A:ASP85 3.2 23.7 1.0 PB A:A12603 3.2 22.8 1.0 ND2 A:ASN117 3.3 25.5 1.0 CG A:HIS243 3.3 23.9 1.0 O1B A:A12603 3.7 25.4 1.0 ZN A:ZN601 3.7 22.0 1.0 CB A:HIS243 3.8 21.2 1.0 CA A:HIS243 3.9 21.0 1.0 OD2 A:ASP36 3.9 21.0 1.0 C3A A:A12603 4.0 24.7 1.0 CD2 A:HIS118 4.1 28.0 1.0 NE2 A:HIS243 4.2 25.6 1.0 CG A:HIS220 4.2 20.2 1.0 ND1 A:HIS220 4.2 19.3 1.0 CB A:ASN117 4.3 26.6 1.0 CB A:ASP85 4.3 21.2 1.0 N A:ASN117 4.4 25.7 1.0 CD2 A:HIS243 4.4 25.0 1.0 O2B A:A12603 4.4 23.0 1.0 O A:HIS243 4.5 28.2 1.0 NE2 A:HIS118 4.7 28.3 1.0 C A:HIS243 4.7 24.0 1.0 N A:HIS118 4.8 28.2 1.0 CA A:ASN117 4.9 27.5 1.0 N A:HIS243 4.9 18.6 1.0 O A:HOH1050 4.9 37.4 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