Zinc in PDB 6vc9: TB19 Complex

All present enzymatic activity of TB19 Complex:
3.1.3.5;

The structure of TB19 Complex, PDB code: 6vc9 was solved by Y.F.Zhou, D.M.Lord, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.25
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.310, 74.220, 148.326, 90.00, 93.61, 90.00
R / Rfree (%)	23.7 / 27.9

The binding sites of Zinc atom in the TB19 Complex (pdb code 6vc9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the TB19 Complex, PDB code: 6vc9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the TB19 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of TB19 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:44.9 occ:1.00 OD2 A:ASP85 2.1 38.4 1.0 OD1 A:ASN117 2.2 41.3 1.0 ND1 A:HIS243 2.2 44.4 1.0 NE2 A:HIS220 2.2 36.7 1.0 O3 A:PO4603 2.2 52.0 1.0 O4 A:PO4603 2.7 68.4 1.0 CE1 A:HIS243 2.9 45.2 1.0 P A:PO4603 3.0 55.6 1.0 CG A:ASP85 3.1 39.5 1.0 CG A:ASN117 3.1 42.8 1.0 CE1 A:HIS220 3.1 35.9 1.0 CD2 A:HIS220 3.3 36.5 1.0 CG A:HIS243 3.4 44.7 1.0 ND2 A:ASN117 3.5 40.6 1.0 OD1 A:ASP85 3.5 40.0 1.0 ZN A:ZN602 3.5 59.8 1.0 OD1 A:ASP36 3.7 50.3 1.0 CA A:HIS243 3.8 39.9 1.0 CB A:HIS243 3.8 41.3 1.0 O1 A:PO4603 3.9 64.3 1.0 NE2 A:HIS243 4.1 46.1 1.0 O2 A:PO4603 4.2 52.5 1.0 ND1 A:HIS220 4.3 36.3 1.0 CD2 A:HIS118 4.3 40.2 1.0 CB A:ASP85 4.3 38.7 1.0 CD2 A:HIS243 4.4 44.9 1.0 CG A:HIS220 4.4 35.8 1.0 O A:HIS243 4.4 45.9 1.0 CB A:ASN117 4.5 44.2 1.0 N A:ASN117 4.6 41.9 1.0 C A:HIS243 4.7 40.6 1.0 N A:HIS243 4.8 39.0 1.0 CG A:ASP36 4.9 43.8 1.0 NE2 A:HIS118 5.0 42.8 1.0

Zinc binding site 2 out of 2 in the TB19 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of TB19 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:59.8 occ:1.00 OD1 A:ASP36 2.1 50.3 1.0 NE2 A:HIS38 2.1 45.1 1.0 O4 A:PO4603 2.3 68.4 1.0 OD2 A:ASP85 2.5 38.4 1.0 CD2 A:HIS38 3.0 44.0 1.0 CG A:ASP36 3.1 43.8 1.0 CE1 A:HIS38 3.2 47.6 1.0 P A:PO4603 3.2 55.6 1.0 CG A:ASP85 3.3 39.5 1.0 O2 A:PO4603 3.3 52.5 1.0 CB A:ASP85 3.4 38.7 1.0 CB A:ASP36 3.4 42.0 1.0 ZN A:ZN601 3.5 44.9 1.0 O3 A:PO4603 3.7 52.0 1.0 OD1 A:ASN245 4.1 47.0 1.0 CA A:ASP36 4.2 40.0 1.0 CG A:HIS38 4.2 44.5 1.0 OD2 A:ASP36 4.2 40.3 1.0 ND1 A:HIS38 4.2 47.1 1.0 CE1 A:HIS220 4.3 35.9 1.0 CD2 A:HIS118 4.4 40.2 1.0 NE2 A:HIS220 4.5 36.7 1.0 OD1 A:ASP85 4.5 40.0 1.0 O A:HIS243 4.5 45.9 1.0 O1 A:PO4603 4.6 64.3 1.0 NE2 A:HIS118 4.8 42.8 1.0 CA A:HIS243 4.8 39.9 1.0 CA A:ASP85 4.9 37.8 1.0

J.E.Stefano, D.M.Lord, Y.Zhou, J.Jaworski, J.Hopke, T.Travaline, N.Zhang, K.Wong, A.Lennon, T.He, E.Bric-Furlong, C.Cherrie, T.Magnay, E.Remy, W.Brondyk, H.Qiu, K.Radosevic. A Highly Potent CD73 Biparatopic Antibody Blocks Organization of the Enzyme Active Site Through Dual Mechanisms. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33122192
DOI: 10.1074/JBC.RA120.012395