Zinc in PDB 3n3k: The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor

All present enzymatic activity of The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor:
3.1.2.15;

The structure of The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor, PDB code: 3n3k was solved by J.R.Walker, G.V.Avvakumov, S.Xue, Y.Li, A.Allali-Hassani, R.Lam, A.Ernst, S.Sidhu, J.Weigelt, C.Bountra, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon, Structural Genomics Consortium, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.99 / 2.60
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	69.983, 69.983, 181.549, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 24.2

The binding sites of Zinc atom in the The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor (pdb code 3n3k). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor, PDB code: 3n3k:

Zinc binding site 1 out of 1 in the The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Catalytic Domain of USP8 in Complex with A USP8 Specific Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:26.3 occ:1.00 SG A:CYS936 2.3 33.9 1.0 SG A:CYS985 2.3 37.2 1.0 SG A:CYS939 2.3 36.5 1.0 SG A:CYS988 2.3 36.4 1.0 CB A:CYS936 3.1 33.3 1.0 CB A:CYS988 3.3 36.0 1.0 CB A:CYS939 3.3 36.6 1.0 CB A:CYS985 3.4 37.1 1.0 N A:CYS939 3.7 36.2 1.0 N A:CYS988 3.8 36.9 1.0 CA A:CYS988 4.1 36.4 1.0 CA A:CYS939 4.1 36.8 1.0 CA A:CYS936 4.6 33.1 1.0 CB A:HIS987 4.6 38.4 1.0 CG A:ARG992 4.7 40.3 1.0 CB A:THR938 4.7 35.0 1.0 NE A:ARG992 4.7 40.6 1.0 C A:HIS987 4.7 37.5 1.0 CA A:CYS985 4.8 37.5 1.0 C A:THR938 4.9 36.0 1.0 C A:CYS939 4.9 37.3 1.0 N A:HIS940 4.9 37.4 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