Bromine in PDB 8p1p: USP28 in Complex with AZ1

All present enzymatic activity of USP28 in Complex with AZ1:
3.4.19.12;

The structure of USP28 in Complex with AZ1, PDB code: 8p1p was solved by F.Sauer, R.Karal-Nair, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.35 / 2.76
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.444, 105.541, 178.708, 90, 90, 90
R / Rfree (%)	21.3 / 24.1

The structure of USP28 in Complex with AZ1 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	8 atoms

The binding sites of Bromine atom in the USP28 in Complex with AZ1 (pdb code 8p1p). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the USP28 in Complex with AZ1, PDB code: 8p1p:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of USP28 in Complex with AZ1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br803 b:72.1 occ:1.00 BR A:WF0803 0.0 72.1 1.0 C5 A:WF0803 1.9 56.9 1.0 C4 A:WF0803 2.8 54.6 1.0 C6 A:WF0803 2.8 62.9 1.0 O A:LEU264 3.5 68.0 1.0 SD A:MET288 3.6 67.9 1.0 CB A:LEU267 3.7 44.1 1.0 CE1 A:PHE186 3.9 32.9 1.0 N A:GLU268 4.0 63.7 1.0 CG A:MET288 4.0 64.7 1.0 C7 A:WF0803 4.1 56.7 1.0 C3 A:WF0803 4.1 59.3 1.0 CA A:LEU264 4.2 47.6 1.0 C A:LEU264 4.3 61.5 1.0 CD2 A:LEU264 4.3 48.3 1.0 CB A:LEU264 4.3 53.0 1.0 CD1 A:LEU267 4.4 40.7 1.0 C A:LEU267 4.4 66.0 1.0 CZ A:PHE186 4.4 38.7 1.0 CA A:GLU268 4.6 53.4 1.0 CA A:LEU267 4.6 61.2 1.0 C8 A:WF0803 4.6 63.1 1.0 CB A:GLU268 4.6 45.1 1.0 CG A:LEU267 4.7 44.5 1.0 CB A:MET288 4.7 53.5 1.0 CE2 A:PHE292 4.8 43.0 1.0 CG A:LEU264 4.9 38.3 1.0 CD1 A:PHE186 5.0 28.3 1.0

Bromine binding site 2 out of 2 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of USP28 in Complex with AZ1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br801 b:78.0 occ:1.00 BR B:WF0801 0.0 78.0 1.0 C5 B:WF0801 1.9 41.7 1.0 C6 B:WF0801 2.8 66.5 1.0 C4 B:WF0801 2.8 55.8 1.0 SD B:MET288 3.5 53.4 1.0 O B:LEU264 3.5 70.0 1.0 CB B:LEU267 3.7 50.0 1.0 CG B:MET288 3.9 49.0 1.0 N B:GLU268 4.0 70.3 1.0 CE1 B:PHE186 4.1 46.3 1.0 C7 B:WF0801 4.1 64.0 1.0 C3 B:WF0801 4.1 55.4 1.0 CA B:LEU264 4.3 61.2 1.0 C B:LEU264 4.3 64.3 1.0 CB B:LEU264 4.3 61.4 1.0 C B:LEU267 4.4 71.5 1.0 CB B:MET288 4.4 42.7 1.0 CD2 B:LEU264 4.4 59.8 1.0 CA B:GLU268 4.5 58.1 1.0 CD1 B:LEU267 4.5 53.6 1.0 CB B:GLU268 4.5 47.4 1.0 C8 B:WF0801 4.6 50.1 1.0 CZ B:PHE186 4.6 50.4 1.0 CA B:LEU267 4.7 60.2 1.0 CE2 B:PHE292 4.7 50.3 1.0 CG B:LEU267 4.8 55.1 1.0 CG B:LEU264 4.9 53.6 1.0 CD2 B:PHE292 5.0 48.1 1.0

F.Sauer, R.Karal-Nair, C.Kisker. USP28 in Complex with AZ1 To Be Published.