Zinc in PDB 6hxw: Structure of Human CD73 in Complex with Antibody IPH53

All present enzymatic activity of Structure of Human CD73 in Complex with Antibody IPH53:
3.1.3.5;

The structure of Structure of Human CD73 in Complex with Antibody IPH53, PDB code: 6hxw was solved by A.Roussel, B.Amigues, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.84 / 2.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	195.347, 209.429, 65.065, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.2

The binding sites of Zinc atom in the Structure of Human CD73 in Complex with Antibody IPH53 (pdb code 6hxw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Human CD73 in Complex with Antibody IPH53, PDB code: 6hxw:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Human CD73 in Complex with Antibody IPH53


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human CD73 in Complex with Antibody IPH53 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:56.2 occ:1.00 ND1 A:HIS243 2.1 49.1 1.0 NE2 A:HIS220 2.2 46.5 1.0 ND2 A:ASN117 2.3 37.7 1.0 OD2 A:ASP85 2.6 63.9 1.0 CE1 A:HIS243 2.9 48.0 1.0 CE1 A:HIS220 3.1 46.3 1.0 O A:HOH837 3.2 6.0 1.0 CG A:ASN117 3.2 51.8 1.0 CD2 A:HIS220 3.2 46.8 1.0 ZN A:ZN603 3.3 74.3 1.0 CG A:HIS243 3.3 47.8 1.0 CG A:ASP85 3.3 56.5 1.0 OD1 A:ASN117 3.4 53.8 1.0 OD1 A:ASP85 3.5 54.2 1.0 CA A:HIS243 3.5 45.9 1.0 CB A:HIS243 3.8 45.2 1.0 OD1 A:ASP36 3.8 52.9 1.0 O A:HIS243 4.1 51.4 1.0 NE2 A:HIS243 4.1 48.3 1.0 ND1 A:HIS220 4.3 46.5 1.0 CD2 A:HIS243 4.3 49.2 1.0 C A:HIS243 4.3 52.1 1.0 CG A:HIS220 4.3 45.8 1.0 CD2 A:HIS118 4.4 46.0 1.0 N A:HIS243 4.5 46.9 1.0 CB A:ASP85 4.5 48.4 1.0 CB A:ASN117 4.6 40.0 1.0 NE2 A:HIS118 4.7 45.9 1.0 N A:ASN117 4.8 45.2 1.0 O A:HOH745 4.8 45.4 1.0 CG A:ASP36 4.9 54.0 1.0

Zinc binding site 2 out of 4 in the Structure of Human CD73 in Complex with Antibody IPH53


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human CD73 in Complex with Antibody IPH53 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:74.3 occ:1.00 OD2 A:ASP85 2.2 63.9 1.0 OD1 A:ASP36 2.3 52.9 1.0 NE2 A:HIS38 2.4 50.6 1.0 O A:HOH837 3.0 6.0 1.0 ZN A:ZN602 3.3 56.2 1.0 CG A:ASP85 3.3 56.5 1.0 CE1 A:HIS38 3.4 49.9 1.0 CG A:ASP36 3.4 54.0 1.0 CD2 A:HIS38 3.5 50.3 1.0 O A:HOH745 3.6 45.4 1.0 CB A:ASP85 3.9 48.4 1.0 CB A:ASP36 4.0 43.5 1.0 CD2 A:HIS118 4.0 46.0 1.0 NH2 A:ARG395 4.0 59.2 1.0 OD1 A:ASN245 4.0 57.2 1.0 O A:HIS243 4.1 51.4 1.0 OD1 A:ASP85 4.4 54.2 1.0 NE2 A:HIS118 4.4 45.9 1.0 OD2 A:ASP36 4.4 56.0 1.0 CE1 A:HIS220 4.5 46.3 1.0 NE2 A:HIS220 4.5 46.5 1.0 ND1 A:HIS38 4.5 49.7 1.0 CG A:HIS38 4.6 48.0 1.0 CA A:ASP36 4.7 42.5 1.0 CA A:HIS243 4.7 45.9 1.0 C A:HIS243 4.9 52.1 1.0 CG A:ASN245 5.0 72.2 1.0

Zinc binding site 3 out of 4 in the Structure of Human CD73 in Complex with Antibody IPH53


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Human CD73 in Complex with Antibody IPH53 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn602 b:51.1 occ:1.00 ND2 B:ASN117 2.2 42.2 1.0 ND1 B:HIS243 2.3 53.8 1.0 NE2 B:HIS220 2.3 48.2 1.0 OD2 B:ASP85 2.4 56.8 1.0 O B:HOH821 3.0 5.9 1.0 CE1 B:HIS243 3.0 53.0 1.0 CG B:ASN117 3.2 58.0 1.0 ZN B:ZN603 3.2 58.9 1.0 CE1 B:HIS220 3.3 48.0 1.0 CD2 B:HIS220 3.3 49.0 1.0 CG B:ASP85 3.3 53.7 1.0 OD1 B:ASN117 3.4 56.3 1.0 CG B:HIS243 3.5 51.5 1.0 OD1 B:ASP85 3.7 51.4 1.0 CA B:HIS243 3.8 46.5 1.0 OD1 B:ASP36 3.9 53.6 1.0 CD2 B:HIS118 3.9 47.1 1.0 CB B:HIS243 4.0 48.0 1.0 NE2 B:HIS243 4.2 52.8 1.0 O B:HIS243 4.3 49.4 1.0 ND1 B:HIS220 4.4 48.1 1.0 NE2 B:HIS118 4.4 46.8 1.0 CG B:HIS220 4.4 47.3 1.0 CD2 B:HIS243 4.4 53.0 1.0 C B:HIS243 4.5 49.8 1.0 CB B:ASP85 4.5 50.5 1.0 CB B:ASN117 4.6 38.5 1.0 N B:HIS243 4.8 44.6 1.0 N B:ASN117 4.8 40.3 1.0

Zinc binding site 4 out of 4 in the Structure of Human CD73 in Complex with Antibody IPH53


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Human CD73 in Complex with Antibody IPH53 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:58.9 occ:1.00 OD1 B:ASP36 2.1 53.6 1.0 OD2 B:ASP85 2.2 56.8 1.0 NE2 B:HIS38 2.2 48.2 1.0 CE1 B:HIS38 3.0 47.7 1.0 CG B:ASP85 3.2 53.7 1.0 ZN B:ZN602 3.2 51.1 1.0 CG B:ASP36 3.2 52.0 1.0 O B:HOH821 3.3 5.9 1.0 CD2 B:HIS38 3.3 48.0 1.0 CB B:ASP85 3.6 50.5 1.0 NH2 B:ARG395 3.8 52.8 1.0 CB B:ASP36 3.8 42.1 1.0 CD2 B:HIS118 4.1 47.1 1.0 OD1 B:ASN245 4.2 40.9 1.0 ND1 B:HIS38 4.2 47.9 1.0 CE1 B:HIS220 4.2 48.0 1.0 OD2 B:ASP36 4.3 48.2 1.0 NE2 B:HIS220 4.3 48.2 1.0 O B:HIS243 4.3 49.4 1.0 OD1 B:ASP85 4.3 51.4 1.0 CG B:HIS38 4.4 45.9 1.0 NE2 B:HIS118 4.5 46.8 1.0 O B:HOH809 4.5 54.5 1.0 CA B:ASP36 4.5 41.1 1.0 CA B:HIS243 4.8 46.5 1.0 CZ B:ARG395 5.0 64.2 1.0 C B:HIS243 5.0 49.8 1.0

I.Perrot, H.A.Michaud, M.Giraudon-Paoli, S.Augier, A.Docquier, L.Gros, R.Courtois, C.Dejou, D.Jecko, O.Becquart, H.Rispaud-Blanc, L.Gauthier, B.Rossi, S.Chanteux, N.Gourdin, B.Amigues, A.Roussel, A.Bensussan, J.F.Eliaou, J.Bastid, F.Romagne, Y.Morel, E.Narni-Mancinelli, E.Vivier, C.Paturel, N.Bonnefoy. Blocking Antibodies Targeting the CD39/CD73 Immunosuppressive Pathway Unleash Immune Responses in Combination Cancer Therapies. Cell Rep V. 27 2411 2019.
ISSN: ESSN 2211-1247
PubMed: 31116985
DOI: 10.1016/J.CELREP.2019.04.091