Calcium 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
Chlorine	(Cl)	2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Human USPL1 in Covalent Complex with SUMO3-2BR Probe, PDB code: 7zju:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca805 b:37.6 occ:1.00 O A:HIS247 2.3 35.5 1.0 O A:HOH923 2.3 29.9 1.0 O A:HOH965 2.4 38.3 1.0 O A:HOH936 2.4 40.1 1.0 O A:HOH951 2.4 26.9 1.0 CL A:CL804 3.1 68.9 1.0 C A:HIS247 3.5 33.4 1.0 O A:LEU462 4.1 41.0 1.0 CB A:HIS247 4.4 37.7 1.0 N A:GLU249 4.4 40.7 1.0 N A:SER248 4.4 38.3 1.0 CA A:HIS247 4.4 47.1 1.0 CA A:SER248 4.4 41.0 1.0 O A:HOH996 4.6 49.3 1.0 OE2 A:GLU498 4.6 44.6 1.0 O A:HOH992 4.6 60.1 1.0 CG A:GLU249 4.6 54.4 1.0 O A:HOH903 4.7 34.2 1.0 CB A:THR446 4.7 34.1 1.0 CG2 A:ILE461 4.7 33.8 1.0 C A:SER248 4.8 44.5 1.0 OE2 A:GLU249 4.9 68.6 1.0 O A:THR446 5.0 31.6 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca805 b:39.6 occ:1.00 O C:HIS247 2.3 39.6 1.0 O C:HOH952 2.4 33.0 1.0 O C:HOH960 2.4 32.1 1.0 O C:HOH935 2.4 52.5 1.0 O C:HOH947 2.4 29.0 1.0 CL C:CL804 2.9 61.4 1.0 C C:HIS247 3.5 40.7 1.0 O C:LEU462 4.1 41.8 1.0 CA C:SER248 4.4 47.1 1.0 N C:SER248 4.4 41.0 1.0 N C:GLU249 4.4 50.5 1.0 CB C:HIS247 4.4 41.2 1.0 CA C:HIS247 4.5 44.3 1.0 O C:HOH902 4.5 34.5 1.0 CG2 C:ILE461 4.5 36.0 1.0 CB C:THR446 4.5 37.2 1.0 OG1 C:THR446 4.7 36.7 1.0 O C:THR446 4.8 30.8 1.0 C C:SER248 4.8 44.7 1.0 OE2 C:GLU249 4.8 80.5 1.0 OE2 C:GLU498 4.8 58.1 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