Zinc in PDB 2z9k: Complex Structure of Sars-Cov 3C-Like Protease with JMF1600

The structure of Complex Structure of Sars-Cov 3C-Like Protease with JMF1600, PDB code: 2z9k 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 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.100, 95.770, 67.740, 90.00, 103.24, 90.00
R / Rfree (%)	18.7 / 22.4

The binding sites of Zinc atom in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1600 (pdb code 2z9k). 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 JMF1600, PDB code: 2z9k:
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 JMF1600


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 JMF1600 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:36.1 occ:1.00 ZN A:DOZ901 0.0 36.1 1.0 O4 A:DOZ901 1.9 40.0 1.0 N2 A:DOZ901 2.0 39.8 1.0 NE2 A:HIS41 2.1 31.3 1.0 SG A:CYS145 2.3 26.3 1.0 C8 A:DOZ901 2.8 40.0 1.0 C6 A:DOZ901 2.8 40.0 1.0 CE1 A:HIS41 3.1 29.3 1.0 CB A:CYS145 3.1 21.4 1.0 CD2 A:HIS41 3.1 29.8 1.0 O A:HOH1140 3.7 42.2 1.0 O A:HOH1185 3.9 34.7 1.0 O A:HIS164 4.0 21.8 1.0 ND1 A:HIS41 4.2 30.1 1.0 CG A:HIS41 4.2 29.0 1.0 O A:HOH1135 4.3 51.5 1.0 O A:HOH1049 4.5 47.0 1.0 CA A:CYS145 4.5 20.6 1.0 C2 A:DMS803 4.6 41.6 1.0 CD2 A:LEU27 4.8 26.6 1.0 N A:CYS145 5.0 19.2 1.0 O A:HOH1261 5.0 51.8 1.0

Zinc binding site 2 out of 2 in the Complex Structure of Sars-Cov 3C-Like Protease with JMF1600


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 JMF1600 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:32.5 occ:1.00 ZN B:DOZ902 0.0 32.5 1.0 O4 B:DOZ902 1.9 33.0 1.0 N2 B:DOZ902 2.0 33.9 1.0 NE2 B:HIS41 2.1 24.9 1.0 SG B:CYS145 2.3 25.4 1.0 C8 B:DOZ902 2.8 35.8 1.0 C6 B:DOZ902 2.8 33.2 1.0 CE1 B:HIS41 3.0 22.6 1.0 CB B:CYS145 3.2 20.8 1.0 CD2 B:HIS41 3.2 21.4 1.0 O B:HIS164 3.9 22.7 1.0 ND1 B:HIS41 4.1 22.3 1.0 O B:HOH1456 4.2 45.8 1.0 CG B:HIS41 4.2 21.8 1.0 CD2 B:LEU27 4.4 18.1 1.0 O B:HOH1409 4.5 52.4 1.0 CA B:CYS145 4.6 19.9 1.0 C2 B:DMS802 4.7 54.9 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