Zinc in PDB 4r3d: Crystal Structure of Mers Coronavirus Papain Like Protease

All present enzymatic activity of Crystal Structure of Mers Coronavirus Papain Like Protease:
3.4.19.12; 3.4.22.69;

The structure of Crystal Structure of Mers Coronavirus Papain Like Protease, PDB code: 4r3d was solved by L.Y.Kong, Q.Wang, Z.H.Ming, N.Shaw, Y.N.Sun, L.M.Yan, Z.Y.Lou, Z.H.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.60 / 2.82
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.624, 136.624, 239.518, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.4

The binding sites of Zinc atom in the Crystal Structure of Mers Coronavirus Papain Like Protease (pdb code 4r3d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Mers Coronavirus Papain Like Protease, PDB code: 4r3d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mers Coronavirus Papain Like Protease


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mers Coronavirus Papain Like Protease within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:58.9 occ:1.00 SG B:CYS192 2.3 61.5 1.0 SG B:CYS195 2.5 50.4 1.0 SG B:CYS227 2.5 52.9 1.0 SG B:CYS229 2.6 87.7 1.0 CB B:CYS192 3.2 53.9 1.0 CB B:CYS227 3.2 53.4 1.0 CB B:CYS195 3.4 70.7 1.0 CB B:CYS229 3.6 72.3 1.0 N B:CYS195 3.8 65.5 1.0 CA B:CYS195 4.2 66.0 1.0 CB B:VAL194 4.2 64.6 1.0 N B:CYS229 4.4 65.8 1.0 CA B:CYS229 4.6 60.3 1.0 CA B:CYS192 4.6 48.1 1.0 CA B:CYS227 4.6 68.8 1.0 C B:VAL194 4.8 71.2 1.0 CG1 B:VAL194 4.8 55.7 1.0 N B:VAL194 4.8 60.9 1.0 CA B:VAL194 4.9 67.1 1.0 C B:CYS227 5.0 65.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mers Coronavirus Papain Like Protease


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mers Coronavirus Papain Like Protease within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:75.1 occ:1.00 SG A:CYS227 2.3 73.3 1.0 SG A:CYS192 2.4 64.7 1.0 SG A:CYS229 2.5 83.0 1.0 SG A:CYS195 2.6 72.5 1.0 CB A:CYS192 3.0 56.7 1.0 CB A:CYS227 3.1 59.0 1.0 CB A:CYS195 3.4 72.8 1.0 CB A:CYS229 3.5 66.5 1.0 N A:CYS195 3.8 63.7 1.0 CA A:CYS195 4.2 54.1 1.0 CB A:VAL194 4.3 63.8 1.0 N A:CYS229 4.4 71.7 1.0 CA A:CYS192 4.5 49.4 1.0 CA A:CYS229 4.6 58.0 1.0 CA A:CYS227 4.6 63.3 1.0 C A:VAL194 4.7 65.6 1.0 CG1 A:VAL194 4.8 39.5 1.0 N A:VAL194 4.9 67.9 1.0 CA A:VAL194 4.9 72.5 1.0 NE A:ARG233 4.9 49.5 1.0 N A:GLY231 5.0 80.6 1.0 C A:CYS227 5.0 74.0 1.0

L.Y.Kong, Q.Wang, Z.H.Ming, Y.N.Sun, N.Shaw, L.M.Yan, Z.Y.Lou, Z.H.Rao. The Crystal Structures of Middle East Respiratory Syndrome Coronavirus Papain-Like Protease and Its Complex with An Inhibitor To Be Published.