Zinc in PDB 2zu2: Complex Structure of Cov 229E 3CL Protease with Epdtc

The structure of Complex Structure of Cov 229E 3CL Protease with Epdtc, PDB code: 2zu2 was solved by C.C.Lee, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.34 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.470, 76.810, 76.670, 90.00, 90.96, 90.00
R / Rfree (%)	18.7 / 22.2

The binding sites of Zinc atom in the Complex Structure of Cov 229E 3CL Protease with Epdtc (pdb code 2zu2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Complex Structure of Cov 229E 3CL Protease with Epdtc, PDB code: 2zu2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Complex Structure of Cov 229E 3CL Protease with Epdtc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex Structure of Cov 229E 3CL Protease with Epdtc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn5517 b:22.7 occ:1.00 ZN A:DTZ5517 0.0 22.7 1.0 NE2 A:HIS41 2.1 14.4 1.0 S1 A:DTZ5517 2.3 26.8 1.0 SG A:CYS144 2.3 18.7 1.0 S2 A:DTZ5517 2.3 34.9 1.0 CE1 A:HIS41 3.0 17.3 1.0 CD2 A:HIS41 3.1 16.5 1.0 CB A:CYS144 3.2 12.4 1.0 O A:HOH1413 3.5 30.9 1.0 O A:HOH1410 3.8 19.6 1.0 O A:GLN163 4.1 15.3 1.0 ND1 A:HIS41 4.1 14.7 1.0 CG A:HIS41 4.2 15.3 1.0 CD2 A:LEU27 4.6 15.8 1.0 O A:HOH1407 4.6 25.4 1.0 CA A:CYS144 4.6 12.1 1.0 CM A:MPD4001 4.7 24.1 1.0

Zinc binding site 2 out of 2 in the Complex Structure of Cov 229E 3CL Protease with Epdtc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Complex Structure of Cov 229E 3CL Protease with Epdtc within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn5518 b:23.2 occ:1.00 ZN B:DTZ5518 0.0 23.2 1.0 NE2 B:HIS41 2.1 19.2 1.0 SG B:CYS144 2.3 20.0 1.0 S1 B:DTZ5518 2.3 34.3 1.0 S2 B:DTZ5518 2.3 34.5 1.0 CE1 B:HIS41 3.0 18.3 1.0 CD2 B:HIS41 3.1 19.7 1.0 CB B:CYS144 3.2 16.8 1.0 O B:HOH1398 3.4 27.8 1.0 ND1 B:HIS41 4.2 19.0 1.0 CG B:HIS41 4.2 17.1 1.0 O B:GLN163 4.3 15.8 1.0 CD2 B:LEU27 4.6 18.4 1.0 CA B:CYS144 4.6 14.8 1.0

C.C.Lee, C.J.Kuo, T.P.Ko, M.F.Hsu, Y.C.Tsui, S.C.Chang, S.Yang, S.J.Chen, H.C.Chen, M.C.Hsu, S.R.Shih, P.H.Liang, A.H.-J.Wang. Structural Basis of Inhibition Specificities of 3C and 3C-Like Proteases By Zinc-Coordinating and Peptidomimetic Compounds J.Biol.Chem. V. 284 7646 2009.
ISSN: ISSN 0021-9258
PubMed: 19144641
DOI: 10.1074/JBC.M807947200