Zinc in PDB 2z9j: Complex Structure of Sars-Cov 3C-Like Protease with Epdtc

The structure of Complex Structure of Sars-Cov 3C-Like Protease with Epdtc, PDB code: 2z9j was solved by C.C.Lee, A.H.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.150, 96.300, 67.620, 90.00, 103.63, 90.00
R / Rfree (%)	19.4 / 24.8

The binding sites of Zinc atom in the Complex Structure of Sars-Cov 3C-Like Protease with Epdtc (pdb code 2z9j). 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 Sars-Cov 3C-Like Protease with Epdtc, PDB code: 2z9j:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Complex Structure of Sars-Cov 3C-Like 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 Sars-Cov 3C-Like Protease with Epdtc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn902 b:53.5 occ:1.00 ZN A:DTZ902 0.0 53.5 1.0 NE2 A:HIS41 2.1 31.4 1.0 S2 A:DTZ902 2.3 61.8 1.0 S1 A:DTZ902 2.3 59.3 1.0 SG A:CYS145 2.3 33.1 1.0 CE1 A:HIS41 3.1 26.8 1.0 CB A:CYS145 3.2 27.6 1.0 CD2 A:HIS41 3.2 25.6 1.0 O A:HOH1139 3.6 42.7 1.0 O A:HIS164 4.0 29.2 1.0 ND1 A:HIS41 4.2 26.8 1.0 CD2 A:LEU27 4.2 23.4 1.0 CG A:HIS41 4.3 26.7 1.0 O A:HOH1239 4.5 44.2 1.0 C2 A:DMS804 4.6 64.6 1.0 CA A:CYS145 4.6 26.1 1.0

Zinc binding site 2 out of 2 in the Complex Structure of Sars-Cov 3C-Like 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 Sars-Cov 3C-Like Protease with Epdtc within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn901 b:50.1 occ:1.00 ZN B:DTZ901 0.0 50.1 1.0 NE2 B:HIS41 2.1 37.1 1.0 S2 B:DTZ901 2.3 57.3 1.0 S1 B:DTZ901 2.3 56.5 1.0 SG B:CYS145 2.4 33.1 1.0 CE1 B:HIS41 3.0 35.9 1.0 CD2 B:HIS41 3.1 35.2 1.0 CB B:CYS145 3.2 25.4 1.0 O B:HOH1203 3.7 44.9 1.0 O B:HIS164 3.9 24.0 1.0 O B:HOH1010 4.1 48.5 1.0 ND1 B:HIS41 4.1 35.6 1.0 CG B:HIS41 4.2 34.3 1.0 CD2 B:LEU27 4.4 28.6 1.0 CA B:CYS145 4.6 24.0 1.0 O B:DMS801 4.9 47.2 1.0 C B:HIS164 5.0 24.4 1.0

C.C.Lee, C.J.Kuo, M.F.Hsu, P.H.Liang, J.M.Fang, J.J.Shie, A.H.Wang. Structural Basis of Mercury- and Zinc-Conjugated Complexes As Sars-Cov 3C-Like Protease Inhibitors. Febs Lett. V. 581 5454 2007.
ISSN: ISSN 0014-5793
PubMed: 17981158
DOI: 10.1016/J.FEBSLET.2007.10.048