Chlorine in PDB 3v6e: Crystal Structure of USP2 and A Mutant Form of Ubiquitin

All present enzymatic activity of Crystal Structure of USP2 and A Mutant Form of Ubiquitin:
3.4.19.12;

The structure of Crystal Structure of USP2 and A Mutant Form of Ubiquitin, PDB code: 3v6e 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)	42.06 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.097, 84.124, 87.371, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 23.4

The structure of Crystal Structure of USP2 and A Mutant Form of Ubiquitin also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of USP2 and A Mutant Form of Ubiquitin (pdb code 3v6e). 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 and A Mutant Form of Ubiquitin, PDB code: 3v6e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of USP2 and A Mutant Form of 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 and A Mutant Form of Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:17.8 occ:1.00 O A:HOH83 3.0 20.2 1.0 O A:HOH95 3.2 15.9 1.0 N A:MET456 3.3 7.9 1.0 O A:HOH111 3.4 19.8 1.0 CG A:MET456 3.5 11.0 1.0 N A:LEU455 3.6 8.0 1.0 CD A:PRO522 3.6 8.5 1.0 O A:ASN520 3.6 10.0 1.0 CB A:THR454 3.8 10.6 1.0 CB A:LEU455 3.9 5.8 1.0 CB A:MET456 3.9 8.5 1.0 CA A:LEU455 4.0 6.7 1.0 C A:LEU455 4.1 7.3 1.0 OG1 A:THR454 4.1 11.6 1.0 CA A:MET456 4.2 8.8 1.0 CG A:PRO522 4.2 8.9 1.0 C A:THR454 4.4 9.0 1.0 CA A:THR454 4.6 10.7 1.0 N A:PRO522 4.6 8.3 1.0 O A:HOH201 4.7 19.2 1.0 CG2 A:THR454 4.7 9.8 1.0 C A:ASN520 4.7 9.0 1.0 CA A:PHE521 4.7 8.1 1.0 CD1 A:LEU526 4.8 7.5 1.0 SD A:MET456 4.9 13.1 1.0 CB A:PRO522 5.0 8.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of USP2 and A Mutant Form of 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 and A Mutant Form of Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:21.7 occ:1.00 O B:HOH75 3.1 18.9 1.0 O A:HOH81 3.2 23.9 1.0 N B:ASP52 3.2 14.5 1.0 NH2 A:ARG349 3.3 14.8 1.0 CG B:ASP52 3.7 17.0 1.0 CA B:GLU51 3.8 13.4 1.0 NZ B:LYS27 3.9 8.5 1.0 OD1 B:ASP52 3.9 16.1 1.0 CB B:ASP52 3.9 16.0 1.0 O B:HOH81 3.9 18.8 1.0 OD2 B:ASP52 3.9 18.2 1.0 C B:GLU51 4.0 13.6 1.0 CA B:ASP52 4.2 15.7 1.0 CB B:GLU51 4.2 13.8 1.0 O B:LEU50 4.3 11.0 1.0 CZ A:ARG349 4.3 16.7 1.0 NH1 A:ARG349 4.4 14.3 1.0 CG B:GLU51 4.5 16.5 1.0 N B:GLU51 4.9 11.9 1.0

A.Ernst, G.Avvakumov, J.Tong, Y.Fan, Y.Zhao, P.Alberts, A.Persaud, J.R.Walker, A.M.Neculai, D.Neculai, A.Vorobyov, P.Garg, L.Beatty, P.K.Chan, Y.C.Juang, M.C.Landry, C.Yeh, E.Zeqiraj, K.Karamboulas, A.Allali-Hassani, M.Vedadi, M.Tyers, J.Moffat, F.Sicheri, L.Pelletier, D.Durocher, B.Raught, D.Rotin, J.Yang, M.F.Moran, S.Dhe-Paganon, S.S.Sidhu. A Strategy For Modulation of Enzymes in the Ubiquitin System. Science V. 339 590 2013.
ISSN: ISSN 0036-8075
PubMed: 23287719
DOI: 10.1126/SCIENCE.1230161