Zinc in PDB 5cht: Crystal Structure of USP18

The structure of Crystal Structure of USP18, PDB code: 5cht was solved by G.Fritz, A.Basters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.77 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.959, 89.747, 149.406, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.3

The binding sites of Zinc atom in the Crystal Structure of USP18 (pdb code 5cht). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of USP18, PDB code: 5cht:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of USP18


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of USP18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:97.8 occ:1.00 SG A:CYS178 2.2 0.8 1.0 SG A:CYS229 2.3 0.2 1.0 SG A:CYS226 2.4 97.3 1.0 SG A:CYS175 2.4 0.7 1.0 CB A:CYS226 2.8 97.7 1.0 CB A:CYS175 3.2 0.7 1.0 CB A:CYS229 3.3 76.3 1.0 CB A:CYS178 3.5 0.6 1.0 N A:CYS178 3.7 0.9 1.0 N A:CYS229 4.0 77.7 1.0 CA A:CYS178 4.2 0.6 1.0 CA A:CYS229 4.2 76.9 1.0 CA A:CYS226 4.3 0.4 1.0 OG1 A:THR233 4.3 95.1 1.0 C A:GLY177 4.6 0.1 1.0 CA A:CYS175 4.7 0.1 1.0 N A:GLY177 4.7 0.9 1.0 C A:CYS178 4.8 0.1 1.0 CA A:GLY177 4.8 1.0 1.0 CB A:ALA180 4.9 80.9 1.0 N A:THR179 4.9 0.2 1.0 C A:CYS226 5.0 0.2 1.0 CG2 A:THR233 5.0 100.0 1.0 C A:CYS229 5.0 79.1 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of USP18


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of USP18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:67.3 occ:1.00 NE2 B:HIS334 2.0 75.9 1.0 NE2 A:HIS334 2.0 0.2 1.0 SG A:CYS336 2.3 59.0 1.0 SG B:CYS336 2.5 74.7 1.0 CB A:CYS336 2.7 69.2 1.0 CB B:CYS336 2.8 43.4 1.0 CE1 B:HIS334 2.9 75.2 1.0 CD2 A:HIS334 2.9 93.7 1.0 CE1 A:HIS334 3.0 0.5 1.0 CD2 B:HIS334 3.0 73.1 1.0 ND1 B:HIS334 4.0 71.9 1.0 CA A:CYS336 4.1 63.5 1.0 CG A:HIS334 4.1 86.2 1.0 ND1 A:HIS334 4.1 96.4 1.0 CG B:HIS334 4.1 69.3 1.0 CA B:CYS336 4.3 49.5 1.0 N A:CYS336 4.4 55.5 1.0 N B:CYS336 4.6 49.6 1.0 C A:VAL335 4.9 55.1 1.0 C A:CYS336 4.9 66.2 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of USP18


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of USP18 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:70.2 occ:1.00 SG B:CYS178 2.1 67.0 1.0 SG B:CYS229 2.3 63.3 1.0 SG B:CYS175 2.3 68.9 1.0 SG B:CYS226 2.4 52.5 1.0 CB B:CYS175 3.1 59.4 1.0 CB B:CYS226 3.2 76.6 1.0 CB B:CYS229 3.3 45.8 1.0 CB B:CYS178 3.5 82.2 1.0 N B:CYS229 3.9 55.9 1.0 N B:CYS178 4.1 80.7 1.0 CA B:CYS229 4.2 57.4 1.0 CA B:CYS178 4.3 75.7 1.0 OG1 B:THR233 4.4 86.9 1.0 CA B:CYS175 4.6 56.0 1.0 CA B:CYS226 4.6 74.8 1.0 CB B:SER228 4.8 56.2 1.0 CB B:ALA180 4.9 58.2 1.0 C B:CYS178 4.9 70.4 1.0 C B:SER228 4.9 55.6 1.0 C B:GLY177 5.0 87.3 1.0

A.Basters, P.P.Geurink, A.Rocker, K.F.Witting, R.Tadayon, S.Hess, M.S.Semrau, P.Storici, H.Ovaa, K.P.Knobeloch, G.Fritz. Structural Basis of the Specificity of USP18 Toward ISG15. Nat. Struct. Mol. Biol. V. 24 270 2017.
ISSN: ESSN 1545-9985
PubMed: 28165509
DOI: 10.1038/NSMB.3371