Chlorine in PDB 5vsk: Structure of Dub Complex

All present enzymatic activity of Structure of Dub Complex:
3.4.19.12;

The structure of Structure of Dub Complex, PDB code: 5vsk was solved by H.-Y.Seo, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.15 / 3.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.390, 69.630, 77.970, 90.00, 99.16, 90.00
R / Rfree (%)	21.8 / 27.4

The structure of Structure of Dub Complex also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Structure of Dub Complex (pdb code 5vsk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Dub Complex, PDB code: 5vsk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Dub Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Dub Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:0.4 occ:1.00 CL A:9HS601 0.0 0.4 1.0 C6 A:9HS601 1.8 0.4 1.0 C7 A:9HS601 2.8 0.8 1.0 C5 A:9HS601 2.8 1.0 1.0 H4 A:9HS601 2.9 0.3 1.0 H5 A:9HS601 2.9 0.8 1.0 CE A:MET407 3.5 0.7 1.0 C8 A:9HS601 4.1 0.4 1.0 SD A:MET407 4.1 98.5 1.0 C4 A:9HS601 4.1 0.8 1.0 CG A:MET407 4.3 98.8 1.0 C3 A:9HS601 4.6 0.8 1.0 H3 A:9HS601 4.9 0.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Dub Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Dub Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:0.1 occ:1.00 CL B:9HS601 0.0 0.1 1.0 C6 B:9HS601 1.8 0.4 1.0 C5 B:9HS601 2.8 0.2 1.0 C7 B:9HS601 2.8 0.9 1.0 H4 B:9HS601 2.9 0.7 1.0 H5 B:9HS601 2.9 0.0 1.0 CE B:MET407 3.3 0.2 1.0 SD B:MET407 4.0 0.9 1.0 C8 B:9HS601 4.1 0.2 1.0 C4 B:9HS601 4.1 0.2 1.0 CG B:MET407 4.2 0.4 1.0 C3 B:9HS601 4.6 0.2 1.0 SD B:MET410 4.6 0.5 1.0 CE B:MET410 4.6 0.9 1.0 H3 B:9HS601 4.9 0.1 1.0 CB B:MET407 5.0 0.8 1.0

I.Lamberto, X.Liu, H.S.Seo, N.J.Schauer, R.E.Iacob, W.Hu, D.Das, T.Mikhailova, E.L.Weisberg, J.R.Engen, K.C.Anderson, D.Chauhan, S.Dhe-Paganon, S.J.Buhrlage. Structure-Guided Development of A Potent and Selective Non-Covalent Active-Site Inhibitor of USP7. Cell Chem Biol V. 24 1490 2017.
ISSN: ESSN 2451-9456
PubMed: 29056421
DOI: 10.1016/J.CHEMBIOL.2017.09.003