Zinc in PDB 8znz: CD73 Bound with HB0045

All present enzymatic activity of CD73 Bound with HB0045:
3.1.3.35; 3.1.3.5; 3.1.3.89; 3.1.3.91; 3.1.3.99;

The structure of CD73 Bound with HB0045 also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Zinc atom in the CD73 Bound with HB0045 (pdb code 8znz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the CD73 Bound with HB0045, PDB code: 8znz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the CD73 Bound with HB0045


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of CD73 Bound with HB0045 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:30.0 occ:1.00 NE2 A:HIS220 1.9 20.0 1.0 ND1 A:HIS243 2.0 21.1 1.0 OD2 A:ASP85 2.1 20.0 1.0 OD1 A:ASN117 2.4 22.2 1.0 CE1 A:HIS220 2.9 20.0 1.0 CE1 A:HIS243 2.9 20.0 1.0 CD2 A:HIS220 3.0 20.0 1.0 CG A:HIS243 3.1 20.0 1.0 CG A:ASN117 3.3 20.0 1.0 CG A:ASP85 3.3 20.0 1.0 ND2 A:ASN117 3.4 20.2 1.0 CB A:HIS243 3.5 20.0 1.0 CA A:HIS243 3.7 20.0 1.0 OD1 A:ASP36 3.9 20.0 1.0 ND1 A:HIS220 4.0 20.0 1.0 OD1 A:ASP85 4.0 20.0 1.0 NE2 A:HIS243 4.0 20.0 1.0 CG A:HIS220 4.1 20.0 1.0 O A:HIS243 4.1 20.0 1.0 CD2 A:HIS243 4.2 20.0 1.0 CB A:ASP85 4.3 20.0 1.0 ZN A:ZN602 4.5 30.0 1.0 C A:HIS243 4.5 20.0 1.0 CB A:ASN117 4.7 20.0 1.0 CG A:ASP36 4.8 20.0 1.0 OD2 A:ASP36 4.8 20.0 1.0 N A:ASN117 4.8 20.0 1.0 N A:HIS243 4.9 20.0 1.0

Zinc binding site 2 out of 4 in the CD73 Bound with HB0045


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of CD73 Bound with HB0045 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:30.0 occ:1.00 NE2 A:HIS38 2.3 23.6 1.0 OD1 A:ASP36 2.5 20.0 1.0 CD2 A:HIS38 2.9 24.0 1.0 CE1 A:HIS38 3.4 20.0 1.0 CG A:ASP36 3.5 20.0 1.0 OG A:SER520 3.7 22.9 1.0 CB A:ASP36 4.1 20.0 1.0 CG A:HIS38 4.1 20.0 1.0 ND2 A:ASN245 4.3 37.4 1.0 ND1 A:HIS38 4.4 20.0 1.0 OD1 A:ASN245 4.4 29.4 1.0 ZN A:ZN601 4.5 30.0 1.0 OD2 A:ASP85 4.5 20.0 1.0 OD2 A:ASP36 4.5 20.0 1.0 CG A:ASN245 4.6 29.8 1.0 CB A:SER520 4.6 20.4 1.0 CG A:ASP85 5.0 20.0 1.0

Zinc binding site 3 out of 4 in the CD73 Bound with HB0045


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of CD73 Bound with HB0045 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:30.0 occ:1.00 NE2 B:HIS220 1.9 20.0 1.0 ND1 B:HIS243 2.0 21.1 1.0 OD2 B:ASP85 2.1 20.0 1.0 OD1 B:ASN117 2.4 22.2 1.0 CE1 B:HIS220 2.9 20.0 1.0 CE1 B:HIS243 2.9 20.0 1.0 CD2 B:HIS220 3.0 20.0 1.0 CG B:HIS243 3.1 20.0 1.0 CG B:ASN117 3.3 20.0 1.0 CG B:ASP85 3.3 20.0 1.0 ND2 B:ASN117 3.4 20.2 1.0 CB B:HIS243 3.5 20.0 1.0 CA B:HIS243 3.7 20.0 1.0 OD1 B:ASP36 3.9 20.0 1.0 ND1 B:HIS220 4.0 20.0 1.0 OD1 B:ASP85 4.0 20.0 1.0 NE2 B:HIS243 4.0 20.0 1.0 CG B:HIS220 4.1 20.0 1.0 O B:HIS243 4.1 20.0 1.0 CD2 B:HIS243 4.2 20.0 1.0 CB B:ASP85 4.3 20.0 1.0 ZN B:ZN602 4.5 30.0 1.0 C B:HIS243 4.5 20.0 1.0 CB B:ASN117 4.7 20.0 1.0 CG B:ASP36 4.8 20.0 1.0 OD2 B:ASP36 4.8 20.0 1.0 N B:ASN117 4.8 20.0 1.0 N B:HIS243 4.9 20.0 1.0

Zinc binding site 4 out of 4 in the CD73 Bound with HB0045


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of CD73 Bound with HB0045 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn602 b:30.0 occ:1.00 NE2 B:HIS38 2.3 23.6 1.0 OD1 B:ASP36 2.5 20.0 1.0 CD2 B:HIS38 2.9 24.0 1.0 CE1 B:HIS38 3.4 20.0 1.0 CG B:ASP36 3.5 20.0 1.0 OG B:SER520 3.7 22.9 1.0 CB B:ASP36 4.1 20.0 1.0 CG B:HIS38 4.1 20.0 1.0 ND2 B:ASN245 4.3 37.4 1.0 ND1 B:HIS38 4.4 20.0 1.0 OD1 B:ASN245 4.4 29.4 1.0 ZN B:ZN601 4.5 30.0 1.0 OD2 B:ASP85 4.5 20.0 1.0 OD2 B:ASP36 4.5 20.0 1.0 CG B:ASN245 4.6 29.8 1.0 CB B:SER520 4.6 20.4 1.0 CG B:ASP85 5.0 20.0 1.0

J.G.Xu, S.Chen, Y.He, X.Zhu, Y.Wang, Z.Ye, J.C.Zhou, X.Wu, L.Zhang, X.Ren, H.Jia, H.Yu, X.Wei, Y.Feng, X.Chen, X.Cui, X.Pan, S.Wang, S.Xia, H.Shang, Y.Pu, W.Xu, H.Li, Q.Chen, Z.Chen, M.Wang, X.Yan, H.Shi, M.Li, Y.Xia, R.Bellelli, S.Dong, J.He, J.Huang, C.L.Cai, X.Zhu, Y.Zhan, L.Wan. An Antibody Cocktail Targeting Two Different CD73 Epitopes Enhances Enzyme Inhibition and Tumor Control. Nat Commun V. 15 10872 2024.
ISSN: ESSN 2041-1723
PubMed: 39738003
DOI: 10.1038/S41467-024-55207-9