Zinc in PDB 9hhg: A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2

All present enzymatic activity of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2:
3.4.19.12;

The structure of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2, PDB code: 9hhg was solved by G.L.Freiherr Von Scholley, M.Schaefer, M.Soler Lopez, R.Hillig, C.Mueller-Dieckmann, E.Kandiah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.94 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.09, 106.517, 72.329, 90, 90, 90
R / Rfree (%)	18.7 / 22.1

The structure of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 (pdb code 9hhg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2, PDB code: 9hhg:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:28.3 occ:1.00 SG A:CYS226 2.3 33.5 1.0 SG A:CYS224 2.3 31.2 1.0 SG A:CYS192 2.3 32.4 1.0 SG A:CYS189 2.3 28.6 1.0 CB A:CYS192 3.2 31.0 1.0 CB A:CYS226 3.2 30.8 1.0 CB A:CYS189 3.3 21.7 1.0 CB A:CYS224 3.4 29.8 1.0 N A:CYS192 3.8 24.2 1.0 CA A:CYS192 4.1 27.9 1.0 N A:CYS226 4.2 37.6 1.0 CA A:CYS226 4.3 41.1 1.0 O A:HOH574 4.3 34.7 1.0 CB A:THR191 4.3 30.8 1.0 O A:HOH829 4.4 29.6 1.0 CG2 A:THR191 4.7 31.3 1.0 C A:THR191 4.7 29.7 1.0 CA A:CYS224 4.7 30.3 1.0 CA A:CYS189 4.8 29.2 1.0 CA A:THR191 4.9 34.6 1.0 C A:CYS224 4.9 37.9 1.0 N A:THR191 4.9 28.6 1.0

Zinc binding site 2 out of 3 in the A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:21.3 occ:1.00 O A:HOH619 2.0 21.1 1.0 ND1 A:HIS272 2.2 20.9 1.0 CL A:CL404 2.3 20.3 1.0 SG A:CYS111 2.3 17.0 1.0 CB A:CYS111 3.0 14.8 1.0 CE1 A:HIS272 3.1 18.9 1.0 CG A:HIS272 3.3 21.1 1.0 CB A:HIS272 3.7 14.9 1.0 CA A:HIS272 3.7 15.6 1.0 O A:GLY271 4.0 20.7 1.0 N A:CYS111 4.2 14.8 1.0 CA A:CYS111 4.2 20.8 1.0 NE2 A:HIS272 4.3 21.2 1.0 N A:TYR273 4.3 16.6 1.0 CD2 A:HIS272 4.4 18.5 1.0 CA A:ASN109 4.4 19.5 1.0 OD1 A:ASN109 4.4 22.4 1.0 C A:HIS272 4.5 18.4 1.0 O A:HOH656 4.6 26.9 1.0 C A:ASN109 4.7 21.9 1.0 N A:HIS272 4.8 17.4 1.0 C A:GLY271 4.8 16.5 1.0 O A:HOH775 4.9 27.4 1.0 CD1 A:LEU162 4.9 26.4 1.0 O A:ASN109 5.0 20.4 1.0

Zinc binding site 3 out of 3 in the A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:110.5 occ:1.00 SG B:CYS192 2.3 96.3 1.0 SG B:CYS224 2.3 100.1 1.0 SG B:CYS189 2.3 87.6 1.0 SG B:CYS226 2.4 109.8 1.0 CB B:CYS224 3.1 82.0 1.0 CB B:CYS192 3.4 96.5 1.0 CB B:CYS226 3.5 92.9 1.0 CB B:CYS189 3.6 86.7 1.0 CG B:LYS228 4.1 89.1 1.0 N B:CYS226 4.2 92.3 1.0 CD B:LYS228 4.4 91.0 1.0 CA B:CYS226 4.5 95.7 1.0 CA B:CYS224 4.6 74.2 1.0 N B:THR225 4.7 99.3 1.0 CA B:CYS192 4.7 87.3 1.0 O B:LYS190 4.7 97.9 1.0 N B:CYS192 4.9 99.1 1.0 C B:CYS224 4.9 88.0 1.0 CA B:CYS189 5.0 74.4 1.0

G.L.Freiherr Von Scholley, M.Schaefer, M.Soler Lopez, R.Hillig, C.Mueller-Dieckmann, E.Kandiah. A Rare Open Conformation For UBL2 Domain of Papain-Like Protease of Sars-COV2 To Be Published.