Zinc in PDB 5w8t: Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15

The structure of Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15, PDB code: 5w8t was solved by C.M.Daczkowski, O.Y.Goodwin, J.V.Dzimianski, J.J.Farhat, S.D.Pegan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.23 / 2.76
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	86.342, 86.342, 223.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.4

The binding sites of Zinc atom in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 (pdb code 5w8t). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15, PDB code: 5w8t:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


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-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:0.9 occ:1.00 SG A:CYS228 2.2 91.6 1.0 SG A:CYS226 2.4 79.6 1.0 SG A:CYS191 2.4 75.4 1.0 SG A:CYS194 2.4 78.8 1.0 CB A:CYS228 3.1 89.1 1.0 CB A:CYS226 3.3 74.1 1.0 CB A:CYS191 3.5 79.5 1.0 CB A:CYS194 3.6 74.3 1.0 N A:CYS228 3.9 70.2 1.0 N A:CYS194 4.1 90.6 1.0 CA A:CYS228 4.1 85.5 1.0 CA A:CYS194 4.4 78.4 1.0 CB A:VAL193 4.5 92.1 1.0 CA A:CYS226 4.6 73.3 1.0 N A:GLN227 4.6 81.5 1.0 C A:CYS226 4.8 76.6 1.0 C A:VAL193 4.9 83.7 1.0 CA A:CYS191 4.9 76.1 1.0 C A:CYS228 4.9 0.2 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


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-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:0.2 occ:1.00 OE1 A:GLU231 2.0 0.2 1.0 OE2 A:GLU231 2.1 0.3 1.0 CD A:GLU231 2.3 0.9 1.0 CG A:GLU231 3.6 0.7 1.0 ZN A:ZN403 4.2 0.4 1.0 CB A:GLU231 4.4 0.9 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:0.4 occ:1.00 OE1 A:GLU231 3.8 0.2 1.0 CB A:GLU231 4.2 0.9 1.0 ZN A:ZN402 4.2 0.2 1.0 CD A:GLU231 4.5 0.9 1.0 CG A:GLU231 4.7 0.7 1.0 CA A:GLU231 4.9 91.1 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:0.6 occ:1.00 NE2 A:HIS81 1.8 0.5 1.0 CE1 A:HIS81 2.4 0.1 1.0 O A:HOH507 2.4 39.5 1.0 SG A:CYS32 2.5 99.4 1.0 CD2 A:HIS81 3.1 0.6 1.0 OE2 C:GLU231 3.1 0.3 1.0 CB A:CYS32 3.3 0.8 1.0 ND1 A:HIS81 3.6 0.1 1.0 CG A:HIS81 4.0 98.0 1.0 OD1 A:ASP39 4.0 99.1 1.0 CD C:GLU231 4.1 0.4 1.0 NH2 A:ARG27 4.2 87.2 1.0 CG C:GLU231 4.2 0.9 1.0 OD2 A:ASP58 4.3 0.6 1.0 NH1 A:ARG27 4.3 90.2 1.0 ZN A:ZN405 4.4 0.9 1.0 CZ A:ARG27 4.6 89.4 1.0 OG A:SER41 4.6 61.0 1.0 CA A:CYS32 4.7 95.2 1.0 O4 A:MPD407 5.0 0.4 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:0.9 occ:1.00 CG A:ASP58 2.0 0.5 1.0 OD2 A:ASP58 2.1 0.6 1.0 OE2 C:GLU231 2.2 0.3 1.0 OD1 A:ASP58 2.2 0.2 1.0 O C:HOH511 2.3 49.6 1.0 SG A:CYS32 2.7 99.4 1.0 CD C:GLU231 2.7 0.4 1.0 OE1 C:GLU231 2.8 0.8 1.0 CB A:ASP58 2.9 0.3 1.0 CB A:CYS32 3.5 0.8 1.0 N A:CYS32 3.6 95.9 1.0 CG C:GLU231 3.9 0.9 1.0 CD2 A:HIS81 4.1 0.6 1.0 CA A:CYS32 4.1 95.2 1.0 CA A:ASP58 4.3 98.3 1.0 NE2 A:HIS81 4.3 0.5 1.0 NH1 A:ARG27 4.4 90.2 1.0 ZN A:ZN404 4.4 0.6 1.0 C A:GLY31 4.5 81.7 1.0 CA A:GLY31 4.6 85.6 1.0 N A:ASP58 4.7 92.4 1.0 OD1 A:ASN59 4.8 99.9 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Mers-Cov Papain-Like Protease in Complex with the C-Terminal Domain of Human ISG15 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:0.3 occ:1.00 SG C:CYS226 2.2 80.3 1.0 SG C:CYS228 2.3 77.7 1.0 SG C:CYS191 2.3 77.9 1.0 SG C:CYS194 2.3 79.1 1.0 CB C:CYS226 3.2 76.2 1.0 CB C:CYS191 3.3 77.1 1.0 CB C:CYS228 3.3 80.4 1.0 CB C:CYS194 3.7 77.3 1.0 N C:CYS228 4.0 73.9 1.0 N C:CYS194 4.2 83.2 1.0 CA C:CYS228 4.3 78.2 1.0 CA C:CYS226 4.5 74.5 1.0 CA C:CYS194 4.6 81.7 1.0 N C:GLN227 4.6 72.8 1.0 CB C:VAL193 4.6 95.2 1.0 CA C:CYS191 4.8 73.7 1.0 C C:CYS226 4.8 74.0 1.0 N C:GLY230 4.9 76.1 1.0 CG2 C:VAL193 5.0 96.3 1.0

C.M.Daczkowski, O.Y.Goodwin, J.V.Dzimianski, J.J.Farhat, S.D.Pegan. Structurally Guided Removal of Deisgylase Biochemical Activity From Papain-Like Protease Originating From Middle East Respiratory Syndrome Coronavirus. J. Virol. V. 91 2017.
ISSN: ESSN 1098-5514
PubMed: 28931677
DOI: 10.1128/JVI.01067-17