Chlorine in PDB 7zjv: Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe

The structure of Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe, PDB code: 7zjv 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)	42.80 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.708, 95.708, 82.88, 90, 90, 90
R / Rfree (%)	23 / 25.8

The structure of Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe (pdb code 7zjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe, PDB code: 7zjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa 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 Deltan-SUMO2/3-Pa Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:122.3 occ:1.00 O A:ILE406 3.3 103.6 1.0 O A:HOH919 3.6 105.0 1.0 N A:GLU360 4.1 122.5 1.0 O A:ASP358 4.1 102.3 1.0 C A:ILE406 4.3 105.1 1.0 CA A:PHE359 4.5 111.8 1.0 O A:GLU360 4.5 127.0 1.0 CB A:GLU360 4.5 127.8 1.0 C A:PHE359 4.6 125.5 1.0 CB A:ILE406 4.6 96.5 1.0 C A:ASP358 4.7 107.2 1.0 CG2 A:ILE406 4.8 89.4 1.0 CA A:GLU360 4.8 125.6 1.0 N A:PHE359 4.9 121.3 1.0 CA A:ILE406 4.9 90.0 1.0

Chlorine binding site 2 out of 5 in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa 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 Deltan-SUMO2/3-Pa Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:122.8 occ:1.00 CG2 A:THR326 3.5 134.2 1.0 NE2 A:GLN320 4.0 138.4 1.0 OG1 A:THR326 4.3 140.4 1.0 CB A:THR326 4.3 138.3 1.0 CA A:THR326 4.5 135.7 1.0 N A:LEU327 4.8 142.4 1.0 CD A:GLN320 5.0 127.1 1.0

Chlorine binding site 3 out of 5 in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:107.6 occ:1.00 OD1 A:ASN429 3.1 95.7 1.0 CB A:GLN428 3.7 119.9 1.0 OE1 A:GLN428 3.7 133.9 1.0 N A:ASN429 3.8 87.2 1.0 CG A:ASN429 4.1 88.4 1.0 CA A:GLN428 4.2 101.1 1.0 C A:GLN428 4.5 87.3 1.0 CD A:GLN428 4.6 118.6 1.0 CG A:GLN428 4.7 107.6 1.0 N A:ASP430 4.7 97.1 1.0 CA A:ASN429 4.7 88.2 1.0 CB A:ASN429 4.9 88.2 1.0 ND2 A:ASN429 4.9 94.3 1.0 C A:ASN429 5.0 96.3 1.0

Chlorine binding site 4 out of 5 in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:119.1 occ:1.00 N B:GLN24 3.7 104.8 1.0 CG1 B:VAL85 3.9 97.0 1.0 CA B:GLY23 4.0 95.8 1.0 O B:VAL85 4.2 82.9 1.0 OD1 B:ASP25 4.3 98.1 1.0 C B:GLY23 4.3 101.0 1.0 N B:ASP25 4.6 85.4 1.0 CG B:ASP25 4.6 100.2 1.0 C B:VAL85 4.6 84.9 1.0 CA B:GLN24 4.7 89.9 1.0 CB B:VAL85 4.7 83.5 1.0 CB B:GLN24 4.7 88.4 1.0 N B:GLN87 4.7 90.1 1.0 CG B:GLN24 4.9 82.9 1.0

Chlorine binding site 5 out of 5 in the Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Human USPL1 in Covalent Complex with Deltan-SUMO2/3-Pa Probe within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:118.5 occ:1.00 CB B:GLN64 3.3 107.7 1.0 O B:ASP62 3.4 107.1 1.0 CB A:GLN322 4.0 112.1 1.0 N B:GLN64 4.1 113.8 1.0 CA B:GLN64 4.2 114.0 1.0 OD2 B:ASP62 4.4 149.2 1.0 O A:GLN322 4.4 116.1 1.0 C B:ASP62 4.4 105.1 1.0 CA A:GLN322 4.5 116.3 1.0 OE1 A:GLN322 4.5 126.0 1.0 CG A:GLN322 4.6 117.6 1.0 C B:GLY63 4.6 105.1 1.0 O B:PHE61 4.6 109.3 1.0 CD A:GLN322 4.8 126.7 1.0 C A:GLN322 4.9 112.4 1.0 CB B:ASP62 4.9 112.2 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