Chlorine in PDB 5vsb: 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: 5vsb was solved by H.-S.Seo, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.95 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.970, 73.740, 84.770, 90.00, 91.43, 90.00
R / Rfree (%)	23.5 / 24.9

The binding sites of Chlorine atom in the Structure of Dub Complex (pdb code 5vsb). 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: 5vsb:
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:Cl4000 b:43.3 occ:1.00 CL1 A:9QA4000 0.0 43.3 1.0 C23 A:9QA4000 1.8 31.9 1.0 C22 A:9QA4000 2.8 27.3 1.0 C24 A:9QA4000 2.8 26.8 1.0 H221 A:9QA4000 2.8 32.7 1.0 H241 A:9QA4000 2.9 32.1 1.0 O B:HOH4113 3.7 63.0 1.0 SD A:MET407 3.8 33.0 1.0 O A:HOH4242 4.0 28.9 1.0 C25 A:9QA4000 4.1 22.7 1.0 C21 A:9QA4000 4.1 24.9 1.0 C26 A:9QA4000 4.6 21.9 1.0 H251 A:9QA4000 4.8 27.2 1.0 CG A:MET407 4.8 30.6 1.0 O B:HOH4179 4.9 61.6 1.0 CE A:MET407 4.9 37.2 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:Cl4000 b:39.0 occ:1.00 CL1 B:9QA4000 0.0 39.0 1.0 C23 B:9QA4000 1.8 35.5 1.0 C22 B:9QA4000 2.8 35.8 1.0 C24 B:9QA4000 2.8 31.4 1.0 H221 B:9QA4000 2.8 42.9 1.0 H241 B:9QA4000 2.9 37.7 1.0 CE B:MET407 3.3 38.2 1.0 CD A:LYS358 3.7 21.1 1.0 OE2 A:GLU362 4.0 52.0 1.0 C25 B:9QA4000 4.1 28.7 1.0 C21 B:9QA4000 4.1 34.5 1.0 CB A:LYS358 4.2 21.9 1.0 SD B:MET407 4.4 36.7 1.0 CG A:LYS358 4.4 21.4 1.0 C26 B:9QA4000 4.6 29.5 1.0 CE A:LYS358 4.7 22.0 1.0 H251 B:9QA4000 4.8 34.5 1.0 CG B:MET407 4.8 32.2 1.0 NZ A:LYS358 4.8 26.6 1.0 CD A:GLU362 4.8 50.4 1.0 OE1 A:GLU362 4.9 51.1 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