Chlorine in PDB 7zju: Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe

The structure of Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe, PDB code: 7zju was solved by Z.Zhao, M.Gersch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.47 / 2.17
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.06, 84.833, 71.106, 90, 92.26, 90
R / Rfree (%)	19.2 / 23.8

The structure of Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe (pdb code 7zju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe, PDB code: 7zju:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:68.9 occ:1.00 CA A:CA805 3.1 37.6 1.0 OE2 A:GLU249 3.5 68.6 1.0 O A:HOH965 3.5 38.3 1.0 O A:LEU462 3.7 41.0 1.0 O A:HOH992 3.7 60.1 1.0 O A:HOH936 3.7 40.1 1.0 O A:HOH923 4.0 29.9 1.0 CD A:GLU249 4.3 59.3 1.0 O A:HOH1017 4.4 56.0 1.0 CG A:GLU249 4.8 54.4 1.0 C A:LEU462 4.8 42.0 1.0 O A:HOH951 4.9 26.9 1.0 C A:ASP463 4.9 53.5 1.0 N A:ALA464 5.0 55.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl804 b:61.4 occ:1.00 CA C:CA805 2.9 39.6 1.0 O C:HOH960 3.6 32.1 1.0 O C:HOH935 3.6 52.5 1.0 OE2 C:GLU249 3.6 80.5 1.0 O C:HOH952 3.7 33.0 1.0 O C:LEU462 3.8 41.8 1.0 CD C:GLU249 4.1 78.5 1.0 OE1 C:GLU249 4.5 80.4 1.0 O C:HOH947 4.8 29.0 1.0 CB C:THR446 4.8 37.2 1.0 CG2 C:THR446 4.8 37.4 1.0 C C:LEU462 4.9 32.7 1.0 CG C:GLU249 5.0 62.5 1.0

Z.Zhao, R.O’Dea, K.Wendrich, N.Kazi, M.Gersch. Native Semisynthesis of Isopeptide-Linked Substrates For Specificity Analysis of Deubiquitinases and Ubl Proteases J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.3C04062