Zinc in PDB 5ko3: Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design

The structure of Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design, PDB code: 5ko3 was solved by J.C.Clasman, Y.M.Baez-Santos, A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.21 / 1.95
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.705, 30.549, 86.717, 90.00, 116.25, 90.00
R / Rfree (%)	16.7 / 18.9

The binding sites of Zinc atom in the Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design (pdb code 5ko3). 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 Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design, PDB code: 5ko3:

Zinc binding site 1 out of 1 in the Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:0.5 occ:1.00 SG A:CYS194 2.4 0.9 1.0 SG A:CYS226 2.4 0.8 1.0 SG A:CYS228 2.5 0.1 1.0 SG A:CYS191 2.7 96.1 1.0 CB A:CYS191 3.3 96.1 1.0 CB A:CYS226 3.4 0.5 1.0 CB A:CYS194 3.6 90.0 1.0 N A:CYS194 3.8 94.5 1.0 CB A:VAL193 4.0 0.0 1.0 CB A:CYS228 4.1 0.2 1.0 CA A:CYS194 4.3 87.5 1.0 CG A:GLN227 4.4 0.9 1.0 N A:CYS228 4.4 1.0 1.0 CG2 A:VAL193 4.5 98.6 1.0 N A:GLN227 4.6 0.5 1.0 O A:GLY230 4.7 0.8 1.0 CG1 A:VAL193 4.7 94.7 1.0 C A:VAL193 4.8 96.9 1.0 CA A:VAL193 4.8 95.3 1.0 CA A:CYS191 4.8 97.2 1.0 CA A:CYS226 4.9 0.6 1.0 N A:VAL193 4.9 84.6 1.0 CA A:CYS228 4.9 0.3 1.0 N A:GLY230 4.9 1.0 1.0 NE2 A:GLN227 5.0 0.6 1.0

J.R.Clasman, Y.M.Baez-Santos, R.C.Mettelman, A.O'brien, S.C.Baker, A.D.Mesecar. X-Ray Structure and Enzymatic Activity Profile of A Core Papain-Like Protease of Mers Coronavirus with Utility For Structure-Based Drug Design. Sci Rep V. 7 40292 2017.
ISSN: ESSN 2045-2322
PubMed: 28079137
DOI: 10.1038/SREP40292