Chlorine in PDB 8oyp: Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic

All present enzymatic activity of Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic:
3.4.19.12;

The structure of Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic, PDB code: 8oyp was solved by S.K.Maurer, S.G.Caulton, S.J.Ward, J.Emsley, I.Dreveny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 2.44
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.321, 186.102, 75.761, 90, 90, 90
R / Rfree (%)	17 / 23.5

The structure of Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic (pdb code 8oyp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic, PDB code: 8oyp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:34.9 occ:1.00 O A:HOH1137 3.1 33.5 1.0 NE A:ARG449 3.2 30.2 1.0 NH2 A:ARG449 3.3 33.9 1.0 ND2 A:ASN450 3.3 25.6 1.0 NZ A:LYS422 3.6 35.5 1.0 CZ A:ARG449 3.7 35.8 1.0 O A:HOH1196 3.9 29.9 1.0 OD1 A:ASN450 4.1 32.5 1.0 CD A:LYS422 4.1 31.2 1.0 O C:ASP58 4.1 34.1 1.0 CG A:ASN450 4.2 36.4 1.0 CE A:LYS422 4.2 31.1 1.0 O C:TYR59 4.2 26.8 1.0 O C:HOH213 4.2 36.9 1.0 CB C:ASN60 4.3 29.9 1.0 C C:TYR59 4.3 27.7 1.0 CD A:ARG449 4.4 34.2 1.0 CB A:ARG449 4.4 27.8 1.0 CE C:LYS48 4.5 39.0 1.0 CA C:TYR59 4.5 32.6 1.0 N C:ASN60 4.7 32.9 1.0 CG A:ARG449 5.0 33.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ubiquitin Specific Protease 11 (USP11) in Complex with A Substrate Mimetic within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:32.1 occ:1.00 O D:HOH323 2.9 26.4 1.0 O B:HOH1114 3.0 30.7 1.0 NE B:ARG449 3.3 37.0 1.0 NH2 B:ARG449 3.5 46.2 1.0 ND2 B:ASN450 3.5 28.5 1.0 NZ B:LYS422 3.5 49.4 1.0 O B:HOH1194 3.8 38.5 1.0 CZ B:ARG449 3.8 45.7 1.0 OD1 B:ASN450 4.0 28.6 1.0 O D:ASP58 4.0 35.0 1.0 CD B:LYS422 4.1 40.8 1.0 CE B:LYS422 4.1 35.6 1.0 CG B:ASN450 4.2 26.8 1.0 O D:TYR59 4.3 34.5 1.0 O D:HOH303 4.3 31.3 1.0 C D:TYR59 4.3 35.8 1.0 CD B:ARG449 4.4 33.8 1.0 CE D:LYS48 4.4 37.6 1.0 CB D:ASN60 4.4 37.0 1.0 CB B:ARG449 4.5 30.3 1.0 CA D:TYR59 4.5 40.4 1.0 N D:ASN60 4.8 33.9 1.0

S.K.Maurer, M.P.Mayer, S.J.Ward, S.Boudjema, M.Halawa, J.Zhang, S.G.Caulton, J.Emsley, I.Dreveny. Ubiquitin Specific Protease 11 Structure in Complex with An Engineered Substrate Mimetic Reveals A Molecular Feature For Deubiquitination Selectivity. J.Biol.Chem. 05300 2023.
ISSN: ESSN 1083-351X
PubMed: 37777157
DOI: 10.1016/J.JBC.2023.105300