Chlorine in PDB 3v6c: Crystal Structure of USP2 in Complex with Mutated Ubiquitin

All present enzymatic activity of Crystal Structure of USP2 in Complex with Mutated Ubiquitin:
3.4.19.12;

The structure of Crystal Structure of USP2 in Complex with Mutated Ubiquitin, PDB code: 3v6c was solved by M.Neculai, A.Ernst, S.Sidhu, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, S.Dhe-Paganon, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.08 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.735, 84.077, 86.915, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22

The structure of Crystal Structure of USP2 in Complex with Mutated Ubiquitin also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of USP2 in Complex with Mutated Ubiquitin (pdb code 3v6c). 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 USP2 in Complex with Mutated Ubiquitin, PDB code: 3v6c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of USP2 in Complex with Mutated Ubiquitin


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 USP2 in Complex with Mutated Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:21.8 occ:1.00 O A:HOH867 3.0 28.6 1.0 O A:HOH876 3.1 28.7 1.0 N A:MET456 3.3 13.2 1.0 O A:HOH891 3.3 29.2 1.0 CG A:MET456 3.5 17.6 1.0 N A:LEU455 3.6 12.0 1.0 O A:ASN520 3.6 15.3 1.0 CD A:PRO522 3.6 14.6 1.0 CB A:THR454 3.7 16.0 1.0 CB A:MET456 3.8 15.9 1.0 CB A:LEU455 4.0 11.1 1.0 CA A:LEU455 4.1 12.4 1.0 CA A:MET456 4.1 15.1 1.0 C A:LEU455 4.1 13.9 1.0 OG1 A:THR454 4.1 15.3 1.0 CG A:PRO522 4.3 15.2 1.0 C A:THR454 4.4 12.4 1.0 CA A:THR454 4.5 15.1 1.0 CG2 A:THR454 4.6 17.3 1.0 N A:PRO522 4.7 13.7 1.0 CA A:PHE521 4.8 12.3 1.0 C A:ASN520 4.8 14.2 1.0 CD1 A:LEU526 4.8 12.9 1.0 O A:HOH845 4.8 22.3 1.0 SD A:MET456 4.9 20.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of USP2 in Complex with Mutated Ubiquitin


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 USP2 in Complex with Mutated Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:26.9 occ:1.00 O A:HOH865 2.9 26.6 1.0 O B:HOH210 3.1 21.6 1.0 N B:ASP52 3.2 19.5 1.0 NH2 A:ARG349 3.6 21.7 1.0 CG B:ASP52 3.7 21.9 1.0 OD1 B:ASP52 3.8 21.9 1.0 NZ B:LYS27 3.8 21.1 1.0 CA B:GLU51 3.8 16.3 1.0 CB B:ASP52 3.9 21.6 1.0 O B:HOH209 3.9 20.0 1.0 C B:GLU51 4.1 17.7 1.0 OD2 B:ASP52 4.1 22.7 1.0 CA B:ASP52 4.2 21.9 1.0 NH1 A:ARG349 4.3 20.1 1.0 O B:LEU50 4.3 16.1 1.0 CZ A:ARG349 4.4 21.4 1.0 CB B:GLU51 4.5 18.5 1.0 O B:HOH240 4.5 33.4 1.0 CG B:GLU51 4.7 21.3 1.0 O B:HOH214 5.0 26.5 1.0 N B:GLU51 5.0 15.3 1.0

M.Neculai, A.Ernst, S.Sidhu, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, S.Dhe-Paganon. Crystal Structure of USP2 in Complex with Mutated Ubiquitin To Be Published.