Zinc in PDB 6bi8: X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15

The structure of X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15, PDB code: 6bi8 was solved by J.C.Clasman, A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.73 / 2.29
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	148.035, 148.035, 134.189, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 21.5

The binding sites of Zinc atom in the X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15 (pdb code 6bi8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15, PDB code: 6bi8:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1902 b:53.0 occ:1.00 SG A:CYS1675 2.2 61.8 1.0 SG A:CYS1672 2.4 54.2 1.0 SG A:CYS1709 2.4 54.3 1.0 SG A:CYS1707 2.5 53.2 1.0 CB A:CYS1709 3.1 50.4 1.0 CB A:CYS1675 3.2 51.6 1.0 CB A:CYS1707 3.3 43.3 1.0 CB A:CYS1672 3.4 50.4 1.0 N A:CYS1675 3.9 48.5 1.0 N A:CYS1709 4.0 59.2 1.0 CA A:CYS1675 4.1 52.0 1.0 CA A:CYS1709 4.2 61.0 1.0 CB A:VAL1674 4.4 57.1 1.0 CG1 A:VAL1674 4.6 50.7 1.0 CA A:CYS1707 4.7 46.0 1.0 CA A:CYS1672 4.8 50.3 1.0 C A:VAL1674 4.9 49.5 1.0 N A:GLN1708 4.9 45.9 1.0 C A:CYS1707 4.9 46.4 1.0 NH2 A:ARG1713 5.0 62.2 1.0 C A:CYS1709 5.0 58.0 1.0

Zinc binding site 2 out of 2 in the X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of Mers Coronavirus Papain-Like Protease in Complex with Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1903 b:49.8 occ:1.00 SG B:CYS1675 2.3 59.0 1.0 SG B:CYS1709 2.3 50.4 1.0 SG B:CYS1707 2.4 44.5 1.0 SG B:CYS1672 2.4 52.6 1.0 CB B:CYS1675 3.1 53.7 1.0 CB B:CYS1709 3.1 45.6 1.0 CB B:CYS1707 3.3 40.2 1.0 CB B:CYS1672 3.4 53.2 1.0 N B:CYS1675 3.8 47.6 1.0 N B:CYS1709 4.0 58.0 1.0 CA B:CYS1675 4.1 52.0 1.0 CA B:CYS1709 4.2 58.3 1.0 CB B:VAL1674 4.4 55.7 1.0 NH1 B:ARG1713 4.6 49.1 1.0 CA B:CYS1707 4.7 42.5 1.0 CG1 B:VAL1674 4.8 51.9 1.0 N B:GLN1708 4.8 47.5 1.0 C B:VAL1674 4.8 49.3 1.0 N B:GLY1711 4.8 44.1 1.0 C B:CYS1707 4.9 46.4 1.0 CA B:CYS1672 4.9 47.9 1.0 C B:CYS1709 4.9 58.1 1.0 CA B:GLY1711 5.0 52.4 1.0

J.R.Clasman, R.K.Everett, A.D.Mesecar. Structural Basis of Activity Towards ISG15 For the Viral Protease From Mers Coronavirus To Be Published.