Chlorine in PDB 7rbr: The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin

Enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin

All present enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin:
3.4.19.12;

Protein crystallography data

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin, PDB code: 7rbr was solved by J.Osipiuk, C.Tesar, M.Endres, B.T.Lanham, P.Wydorski, D.Fushman, L.Joachimiak, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.14 / 1.88
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 148.046, 50.136, 71.927, 90, 111.84, 90
R / Rfree (%) 18.7 / 22.8

Other elements in 7rbr:

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin (pdb code 7rbr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin, PDB code: 7rbr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7rbr

Go back to Chlorine Binding Sites List in 7rbr
Chlorine binding site 1 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:68.2
occ:1.00
 O A:HOH672 3.1 46.2 1.0
N A:PHE127 3.2 35.5 1.0
CB A:PHE127 3.8 34.8 1.0
CG A:GLN133 3.8 45.2 1.0
CD2 A:PHE127 3.9 34.6 1.0
CA A:GLN133 4.0 37.7 1.0
CA A:PHE127 4.0 34.5 1.0
CA A:LYS126 4.1 41.8 1.0
C A:LYS126 4.1 37.4 1.0
O A:LEU125 4.2 43.8 1.0
CB A:GLN133 4.2 42.7 1.0
CG A:PHE127 4.3 35.0 1.0
O A:PHE127 4.3 34.0 1.0
CD A:LYS126 4.4 57.5 1.0
OH A:TYR137 4.5 74.6 1.0
C A:PHE127 4.7 34.7 1.0
CZ A:TYR137 4.8 67.2 1.0
N A:GLN133 4.8 34.6 1.0
C A:LEU125 4.9 41.2 1.0
CD A:GLN133 4.9 50.0 1.0
O A:GLN133 4.9 37.6 1.0
N A:LYS126 4.9 38.5 1.0
CE2 A:PHE127 4.9 35.9 1.0
CD2 A:TYR136 5.0 40.1 1.0

Chlorine binding site 2 out of 2 in 7rbr

Go back to Chlorine Binding Sites List in 7rbr
Chlorine binding site 2 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:70.9
occ:1.00
 O A:ASN15 2.8 40.6 1.0
OE1 A:GLU67 2.9 48.7 1.0
N A:VAL11 3.0 42.4 1.0
OG1 A:THR10 3.2 37.9 1.0
OD1 A:ASP12 3.3 43.1 1.0
CG2 A:VAL11 3.4 46.6 1.0
CA A:THR10 3.5 38.7 1.0
NE2 A:HIS17 3.5 42.0 1.0
CG A:ASP12 3.7 44.1 1.0
C A:THR10 3.7 40.5 1.0
CD2 A:HIS17 3.8 42.0 1.0
CD A:GLU67 3.8 48.3 1.0
C A:ASN15 3.8 42.3 1.0
N A:ASP12 3.9 42.1 1.0
CB A:ASN15 3.9 48.0 1.0
CB A:THR10 4.0 37.5 1.0
OD2 A:ASP12 4.0 43.5 1.0
CA A:VAL11 4.0 42.9 1.0
CB A:VAL11 4.1 43.0 1.0
CA A:ASN15 4.2 44.9 1.0
CB A:GLU67 4.3 44.8 1.0
CD2 A:LEU64 4.3 53.0 1.0
C A:VAL11 4.4 42.9 1.0
CG1 A:VAL11 4.4 47.3 1.0
N A:ASN15 4.4 43.3 1.0
CG A:GLU67 4.6 49.0 1.0
OE2 A:GLU67 4.6 53.6 1.0
CB A:ASP12 4.6 43.2 1.0
N A:THR10 4.8 39.8 1.0
CE1 A:HIS17 4.8 43.2 1.0
CA A:ASP12 4.8 41.4 1.0
O A:THR9 4.9 38.4 1.0
O A:THR10 4.9 39.9 1.0
N A:LEU16 5.0 41.2 1.0

Reference:

J.Osipiuk, C.Tesar, M.Endres, B.T.Lanham, P.Wydorski, D.Fushman, L.Joachimiak, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with A LYS48-Linked Di-Ubiquitin To Be Published.
Page generated: Tue Jul 30 03:33:19 2024

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