Calcium in PDB 7d47: Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S:
3.4.19.12;

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S, PDB code: 7d47 was solved by K.-P.Wu, S.-K.Chen, Y.-C.Lu, Y.-C.J.Huang, M.-H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.50 / 1.97
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	110.846, 110.846, 66.220, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 19.7

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S (pdb code 7d47). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S, PDB code: 7d47:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:30.1 occ:1.00 O B:GLY100 2.4 26.7 1.0 O A:GLY100 2.5 25.2 1.0 O A:HOH671 2.7 25.8 1.0 O A:HOH697 3.5 56.7 1.0 C B:GLY100 3.6 23.0 1.0 C A:GLY100 3.6 24.2 1.0 NE2 B:GLN97 3.9 17.9 1.0 OE1 A:GLN97 4.1 20.9 1.0 O B:HOH559 4.2 38.5 1.0 O A:HOH640 4.3 31.2 1.0 CA A:GLY100 4.3 21.7 1.0 CA B:GLY100 4.3 20.5 1.0 N B:LEU101 4.5 22.9 1.0 O B:ARG140 4.5 26.1 1.0 O A:HOH704 4.6 37.4 1.0 O A:ARG140 4.6 27.0 1.0 N A:LEU101 4.7 23.5 1.0 CA B:LEU101 4.7 18.3 1.0 CA A:LEU101 4.9 21.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:37.3 occ:1.00 OG B:SER111 2.4 24.7 1.0 O B:HOH600 2.4 47.7 1.0 N B:SER111 3.0 21.8 1.0 CB B:SER111 3.1 20.9 1.0 C B:ASN109 3.2 24.5 1.0 O B:ASN109 3.4 25.2 1.0 CA B:ASN109 3.4 25.2 1.0 NE1 B:TRP106 3.5 20.3 1.0 CA B:SER111 3.6 21.5 1.0 N B:ASN110 3.7 28.0 1.0 O B:HOH580 4.0 27.4 1.0 CB B:ASN109 4.0 27.1 1.0 C B:ASN110 4.1 20.2 1.0 N B:TYR112 4.2 22.1 1.0 CD1 B:TRP106 4.3 19.9 1.0 CA B:ASN110 4.4 22.6 1.0 C B:SER111 4.4 20.6 1.0 O B:GLY271 4.5 20.9 1.0 ND1 B:HIS272 4.5 19.3 1.0 CE2 B:TRP106 4.5 20.8 1.0 N B:ASN109 4.7 23.6 1.0 OD1 B:ASN109 4.8 27.0 1.0 CG B:ASN109 4.9 22.8 1.0 CZ2 B:TRP106 4.9 21.9 1.0

K.-P.Wu, S.-K.Chen, Y.-C.Lu, Y.-C.J.Huang, M.-H.Lee. Crystal Structure of Sars-Cov-2 Papain-Like Protease To Be Published.