Chlorine in PDB 6iim: USP14 Catalytic Domain with IU1-206

All present enzymatic activity of USP14 Catalytic Domain with IU1-206:
3.4.19.12;

The structure of USP14 Catalytic Domain with IU1-206, PDB code: 6iim was solved by Z.Q.Mei, J.W.Wang, F.Wang, Y.W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.310, 81.186, 108.511, 90.00, 94.74, 90.00
R / Rfree (%)	20.6 / 24.7

The binding sites of Chlorine atom in the USP14 Catalytic Domain with IU1-206 (pdb code 6iim). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the USP14 Catalytic Domain with IU1-206, PDB code: 6iim:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the USP14 Catalytic Domain with IU1-206


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of USP14 Catalytic Domain with IU1-206 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.6 occ:1.00 CL1 A:A8L501 0.0 30.6 1.0 C2 A:A8L501 1.8 33.7 1.0 C3 A:A8L501 2.7 42.8 1.0 C1 A:A8L501 2.8 38.2 1.0 CE A:LYS342 3.5 40.1 1.0 CD1 A:TYR476 3.8 21.2 1.0 CB A:HIS426 3.9 20.4 1.0 ND1 A:HIS426 4.0 23.6 1.0 C4 A:A8L501 4.0 42.8 1.0 CB A:ARG330 4.0 47.2 1.0 C6 A:A8L501 4.0 37.5 1.0 CG A:LYS342 4.1 41.5 1.0 CG A:HIS426 4.1 21.7 1.0 CD A:LYS342 4.1 39.5 1.0 CD A:ARG330 4.1 43.4 1.0 CG A:ARG330 4.3 47.9 1.0 CG A:TYR476 4.3 25.0 1.0 CE1 A:TYR476 4.3 25.3 1.0 NZ A:LYS342 4.4 39.9 1.0 CB A:TYR476 4.5 22.1 1.0 O A:ARG330 4.6 62.9 1.0 C5 A:A8L501 4.6 39.1 1.0 CE1 A:HIS426 4.8 23.8 1.0 CE1 A:PHE331 5.0 54.7 1.0 CD2 A:HIS426 5.0 22.4 1.0

Chlorine binding site 2 out of 2 in the USP14 Catalytic Domain with IU1-206


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of USP14 Catalytic Domain with IU1-206 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:52.3 occ:1.00 CL1 B:A8L501 0.0 52.3 1.0 C2 B:A8L501 1.8 43.8 1.0 C1 B:A8L501 2.8 46.6 1.0 C3 B:A8L501 2.8 48.9 1.0 CE B:LYS342 3.5 75.3 1.0 CD1 B:TYR476 3.8 45.9 1.0 CD B:LYS342 3.9 79.8 1.0 NZ B:LYS342 4.0 74.8 1.0 CB B:HIS426 4.0 47.2 1.0 C6 B:A8L501 4.0 49.5 1.0 C4 B:A8L501 4.1 54.4 1.0 CG B:HIS426 4.1 49.3 1.0 ND1 B:HIS426 4.1 55.9 1.0 CG B:TYR476 4.2 46.4 1.0 CG B:LYS342 4.2 86.4 1.0 CE1 B:TYR476 4.3 50.3 1.0 CB B:TYR476 4.5 46.1 1.0 CB B:ARG330 4.5 87.4 1.0 CD B:ARG330 4.6 75.0 1.0 C5 B:A8L501 4.6 53.4 1.0 CE1 B:HIS426 4.9 57.0 1.0 CD2 B:HIS426 4.9 50.1 1.0 CG B:ARG330 4.9 82.2 1.0

Y.Wang, Y.Jiang, S.Ding, J.Li, N.Song, Y.Ren, D.Hong, C.Wu, B.Li, F.Wang, W.He, J.Wang, Z.Mei. Small Molecule Inhibitors Reveal Allosteric Regulation of USP14 Via Steric Blockade. Cell Res. V. 28 1186 2018.
ISSN: ISSN 1748-7838
PubMed: 30254335
DOI: 10.1038/S41422-018-0091-X