Zinc in PDB 7bbj: CD73 in Complex with the Humanized Antagonistic Antibody MAB19

All present enzymatic activity of CD73 in Complex with the Humanized Antagonistic Antibody MAB19:
3.1.3.5;

The structure of CD73 in Complex with the Humanized Antagonistic Antibody MAB19, PDB code: 7bbj was solved by J.Boettcher, F.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.83 / 2.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.35, 67.74, 150.05, 90, 100.13, 90
R / Rfree (%)	20.8 / 23.4

The structure of CD73 in Complex with the Humanized Antagonistic Antibody MAB19 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the CD73 in Complex with the Humanized Antagonistic Antibody MAB19 (pdb code 7bbj). 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 in Complex with the Humanized Antagonistic Antibody MAB19, PDB code: 7bbj:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the CD73 in Complex with the Humanized Antagonistic Antibody MAB19


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of CD73 in Complex with the Humanized Antagonistic Antibody MAB19 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:57.6 occ:1.00 OD2 A:ASP85 1.9 51.2 1.0 OD2 A:ASP36 2.0 48.1 1.0 O A:HOH908 2.2 28.2 1.0 O A:HOH939 2.3 43.7 1.0 NE2 A:HIS38 2.5 39.3 1.0 CG A:ASP85 3.0 47.6 1.0 ZN A:ZN802 3.2 42.4 1.0 CG A:ASP36 3.2 41.7 1.0 CE1 A:HIS38 3.2 38.9 1.0 CB A:ASP85 3.5 37.8 1.0 CD2 A:HIS38 3.7 39.7 1.0 O A:HOH967 3.7 25.9 1.0 CB A:ASP36 3.8 33.3 1.0 CD2 A:HIS118 4.0 44.1 1.0 OD1 A:ASP85 4.1 49.0 1.0 NE2 A:HIS220 4.1 32.9 1.0 CE1 A:HIS220 4.1 32.5 1.0 O A:HIS243 4.2 34.5 1.0 OD1 A:ASP36 4.2 41.2 1.0 OD1 A:ASN245 4.3 47.5 1.0 CB A:SER520 4.4 51.0 1.0 ND1 A:HIS38 4.5 39.5 1.0 NE2 A:HIS118 4.5 43.9 1.0 CA A:HIS243 4.6 33.2 1.0 CA A:ASP36 4.6 31.6 1.0 OD1 A:ASN117 4.6 33.1 1.0 OG A:SER520 4.7 60.5 1.0 CG A:HIS38 4.7 38.3 1.0 ND1 A:HIS243 4.7 38.5 1.0 C A:HIS243 4.8 35.5 1.0 CA A:ASP85 5.0 36.4 1.0

Zinc binding site 2 out of 4 in the CD73 in Complex with the Humanized Antagonistic Antibody MAB19


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of CD73 in Complex with the Humanized Antagonistic Antibody MAB19 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:42.4 occ:1.00 NE2 A:HIS220 1.9 32.9 1.0 O A:HOH939 2.0 43.7 1.0 ND1 A:HIS243 2.0 38.5 1.0 OD1 A:ASN117 2.1 33.1 1.0 OD2 A:ASP85 2.6 51.2 1.0 CE1 A:HIS243 2.9 38.0 1.0 CD2 A:HIS220 2.9 33.2 1.0 CE1 A:HIS220 2.9 32.5 1.0 CG A:ASN117 3.1 43.4 1.0 ZN A:ZN801 3.2 57.6 1.0 CG A:HIS243 3.2 37.0 1.0 CG A:ASP85 3.3 47.6 1.0 CA A:HIS243 3.5 33.2 1.0 ND2 A:ASN117 3.5 34.6 1.0 CB A:HIS243 3.6 33.9 1.0 OD1 A:ASP85 3.7 49.0 1.0 OD2 A:ASP36 3.7 48.1 1.0 CG A:HIS220 4.0 31.5 1.0 ND1 A:HIS220 4.1 33.0 1.0 NE2 A:HIS243 4.1 38.3 1.0 O A:HIS243 4.1 34.5 1.0 CD2 A:HIS243 4.2 38.4 1.0 C A:HIS243 4.3 35.5 1.0 N A:HIS243 4.4 34.3 1.0 CB A:ASP85 4.4 37.8 1.0 CB A:ASN117 4.4 34.0 1.0 N A:ASN117 4.5 38.4 1.0 CD2 A:HIS118 4.6 44.1 1.0 CG A:ASP36 4.8 41.7 1.0 O A:HOH956 4.9 42.1 1.0

Zinc binding site 3 out of 4 in the CD73 in Complex with the Humanized Antagonistic Antibody MAB19


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of CD73 in Complex with the Humanized Antagonistic Antibody MAB19 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn801 b:53.0 occ:1.00 OD2 B:ASP36 2.0 54.4 1.0 OD2 B:ASP85 2.2 58.8 1.0 NE2 B:HIS38 2.4 40.1 1.0 CE1 B:HIS38 3.1 39.8 1.0 CG B:ASP36 3.1 47.3 1.0 ZN B:ZN802 3.2 41.8 1.0 CG B:ASP85 3.2 52.4 1.0 CD2 B:HIS38 3.5 40.4 1.0 CB B:ASP85 3.7 41.2 1.0 CB B:ASP36 3.7 39.5 1.0 OG B:SER520 3.7 67.3 1.0 OD1 B:ASN245 4.0 58.3 1.0 O B:HIS243 4.1 37.8 1.0 CD2 B:HIS118 4.1 42.7 1.0 OD1 B:ASP36 4.2 46.5 1.0 CE1 B:HIS220 4.3 40.5 1.0 OD1 B:ASP85 4.3 53.0 1.0 ND1 B:HIS38 4.4 40.2 1.0 NE2 B:HIS220 4.4 40.8 1.0 NE2 B:HIS118 4.5 42.6 1.0 CA B:ASP36 4.5 37.9 1.0 CG B:HIS38 4.6 38.5 1.0 CA B:HIS243 4.7 34.9 1.0 CB B:SER520 4.7 54.3 1.0 OD1 B:ASN117 4.8 38.8 1.0 C B:HIS243 4.8 37.9 1.0 CG B:ASN245 4.9 57.9 1.0

Zinc binding site 4 out of 4 in the CD73 in Complex with the Humanized Antagonistic Antibody MAB19


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of CD73 in Complex with the Humanized Antagonistic Antibody MAB19 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn802 b:41.8 occ:1.00 NE2 B:HIS220 2.0 40.8 1.0 OD1 B:ASN117 2.1 38.8 1.0 OD2 B:ASP85 2.3 58.8 1.0 ND1 B:HIS243 2.3 39.3 1.0 CE1 B:HIS220 2.9 40.5 1.0 CG B:ASP85 3.1 52.4 1.0 CD2 B:HIS220 3.1 40.9 1.0 CE1 B:HIS243 3.1 38.3 1.0 ZN B:ZN801 3.2 53.0 1.0 CG B:ASN117 3.2 47.0 1.0 CG B:HIS243 3.4 37.8 1.0 OD1 B:ASP85 3.5 53.0 1.0 CA B:HIS243 3.5 34.9 1.0 OD2 B:ASP36 3.5 54.4 1.0 ND2 B:ASN117 3.8 38.0 1.0 CB B:HIS243 3.8 34.9 1.0 ND1 B:HIS220 4.1 40.8 1.0 O B:HIS243 4.1 37.8 1.0 CG B:HIS220 4.2 38.9 1.0 CB B:ASP85 4.3 41.2 1.0 NE2 B:HIS243 4.3 38.3 1.0 C B:HIS243 4.3 37.9 1.0 CD2 B:HIS118 4.4 42.7 1.0 N B:HIS243 4.4 35.8 1.0 CD2 B:HIS243 4.5 38.8 1.0 CB B:ASN117 4.5 35.2 1.0 N B:ASN117 4.6 35.8 1.0 CG B:ASP36 4.7 47.3 1.0 OG B:SER520 4.9 67.3 1.0 NE2 B:HIS118 4.9 42.6 1.0

M.Wurm, O.Schaaf, K.Reutner, R.Ganesan, S.Mostbock, C.Pelster, J.Bottcher, C.Taubert, I.Alt, G.Serna, A.Auguste, K.B.Stadermann, D.Delic, F.Han, J.Capdevila, P.G.Nuciforo, R.Kroe-Barrett, P.J.Adam, A.B.Vogt, I.Hofmann. A Novel Antagonistic CD73 Antibody For Inhibition of the Immunosuppressive Adenosine Pathway Mol.Cancer Ther. 2021.
ISSN: ESSN 1538-8514
DOI: 10.1158/1535-7163.MCT-21-0107