Zinc in PDB 8bs3: Structure of USP36 in Complex with Fubi-Pa

All present enzymatic activity of Structure of USP36 in Complex with Fubi-Pa:
3.4.19.12;

The structure of Structure of USP36 in Complex with Fubi-Pa, PDB code: 8bs3 was solved by R.O'dea, M.Gersch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.63 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.626, 75.892, 96.409, 90, 90, 90
R / Rfree (%)	19.6 / 22.7

The binding sites of Zinc atom in the Structure of USP36 in Complex with Fubi-Pa (pdb code 8bs3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of USP36 in Complex with Fubi-Pa, PDB code: 8bs3:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of USP36 in Complex with Fubi-Pa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of USP36 in Complex with Fubi-Pa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:27.3 occ:1.00 NE2 A:HIS155 2.0 28.9 1.0 SG A:CYS168 2.3 29.7 1.0 SG A:CYS159 2.3 30.1 1.0 SG A:CYS165 2.3 26.6 1.0 CE1 A:HIS155 3.0 29.8 1.0 CD2 A:HIS155 3.0 23.5 1.0 CB A:CYS159 3.1 32.8 1.0 CB A:CYS165 3.1 28.8 1.0 CB A:CYS168 3.4 25.3 1.0 N A:CYS168 3.5 22.1 1.0 CA A:CYS168 3.8 25.9 1.0 ND1 A:HIS155 4.1 31.7 1.0 CG A:HIS155 4.2 25.5 1.0 C A:LEU167 4.4 22.3 1.0 CB A:LEU167 4.5 21.9 1.0 CA A:CYS159 4.6 31.7 1.0 CA A:CYS165 4.6 30.6 1.0 CA A:LEU167 4.9 23.9 1.0 O A:CYS165 4.9 25.8 1.0 C A:CYS165 5.0 24.3 1.0

Zinc binding site 2 out of 2 in the Structure of USP36 in Complex with Fubi-Pa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of USP36 in Complex with Fubi-Pa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:38.9 occ:1.00 SG A:CYS258 2.3 35.7 1.0 SG A:CYS305 2.3 48.8 1.0 SG A:CYS255 2.3 35.8 1.0 SG A:CYS302 2.3 40.6 1.0 CB A:CYS258 3.0 37.8 1.0 CB A:CYS255 3.1 33.6 1.0 CB A:CYS302 3.4 44.6 1.0 CB A:CYS305 3.4 45.2 1.0 N A:CYS258 3.7 39.3 1.0 N A:CYS305 3.7 49.5 1.0 CA A:CYS258 3.9 38.2 1.0 CA A:CYS305 4.2 46.6 1.0 CB A:LYS304 4.5 44.7 1.0 C A:CYS258 4.6 36.8 1.0 CG2 A:VAL309 4.6 39.8 1.0 CA A:CYS255 4.6 37.0 1.0 OG A:SER260 4.6 43.1 1.0 C A:LYS304 4.7 49.5 1.0 CA A:CYS302 4.8 46.0 1.0 N A:LYS259 4.8 36.2 1.0 CB A:VAL257 4.9 37.5 1.0 C A:VAL257 4.9 37.8 1.0 CB A:SER260 4.9 35.6 1.0 CA A:LYS304 5.0 45.0 1.0 N A:LYS304 5.0 51.3 1.0

R.O'dea, M.Gersch. Molecular Basis For Ubiquitin/Fubi Cross-Reactivity in USP16 and USP36 Nat.Chem.Biol. 2023.
ISSN: ESSN 1552-4469
DOI: 10.1038/S41589-023-01388-1