Zinc in PDB 7rbs: The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15

Enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15

All present enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15:
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 Human ISG15, PDB code: 7rbs was solved by J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.99 / 2.98
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 153.673, 220.87, 232.787, 90, 90, 90
R / Rfree (%) 19.5 / 23.6

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 (pdb code 7rbs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15, PDB code: 7rbs:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 7rbs

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Zinc binding site 1 out of 5 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, 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 The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:145.8
occ:0.60
SG A:CYS224 2.3 141.6 1.0
SG A:CYS226 2.3 155.2 1.0
SG A:CYS189 2.4 126.6 1.0
SG A:CYS192 2.4 148.4 1.0
CB A:CYS189 3.3 118.6 1.0
CB A:CYS224 3.4 140.9 1.0
CB A:CYS226 3.4 149.7 1.0
CB A:CYS192 3.4 140.1 1.0
N A:CYS226 4.0 144.9 1.0
OG1 A:THR191 4.2 129.3 1.0
N A:CYS192 4.3 129.9 1.0
CA A:CYS226 4.3 146.8 1.0
CA A:CYS192 4.4 131.7 1.0
N A:THR225 4.6 143.8 1.0
CA A:CYS224 4.7 138.8 1.0
CA A:CYS189 4.7 112.2 1.0
C A:CYS224 4.9 142.2 1.0

Zinc binding site 2 out of 5 in 7rbs

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Zinc binding site 2 out of 5 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, 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 The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn501

b:136.2
occ:0.60
SG C:CYS189 2.3 122.2 1.0
SG C:CYS224 2.4 130.7 1.0
SG C:CYS226 2.4 137.8 1.0
SG C:CYS192 2.4 139.3 1.0
CB C:CYS189 3.3 111.1 1.0
CB C:CYS226 3.4 138.3 1.0
CB C:CYS192 3.5 131.1 1.0
CB C:CYS224 3.5 128.2 1.0
N C:CYS226 3.9 135.8 1.0
CA C:CYS226 4.3 137.0 1.0
N C:CYS192 4.3 127.0 1.0
N C:THR225 4.4 131.5 1.0
OG1 C:THR191 4.4 130.1 1.0
CA C:CYS192 4.5 124.2 1.0
CA C:CYS189 4.6 105.6 1.0
CA C:CYS224 4.7 124.9 1.0
C C:CYS224 4.8 128.3 1.0
C C:THR225 4.9 133.1 1.0

Zinc binding site 3 out of 5 in 7rbs

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Zinc binding site 3 out of 5 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, 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 3 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn501

b:147.3
occ:0.60
SG E:CYS224 2.3 137.5 1.0
SG E:CYS226 2.4 151.8 1.0
SG E:CYS189 2.4 134.7 1.0
SG E:CYS192 2.4 146.5 1.0
CB E:CYS189 3.4 124.0 1.0
CB E:CYS224 3.4 136.1 1.0
CB E:CYS192 3.4 137.0 1.0
CB E:CYS226 3.4 145.8 1.0
N E:CYS226 3.7 137.8 1.0
CA E:CYS226 4.2 142.6 1.0
N E:CYS192 4.3 130.3 1.0
N E:THR225 4.3 135.6 1.0
OG1 E:THR191 4.3 133.6 1.0
CA E:CYS192 4.5 131.0 1.0
CA E:CYS224 4.5 133.9 1.0
C E:CYS224 4.6 136.9 1.0
CA E:CYS189 4.8 117.2 1.0
C E:THR225 4.8 135.0 1.0
CA E:THR225 4.9 133.7 1.0
CB E:THR225 4.9 132.2 1.0

Zinc binding site 4 out of 5 in 7rbs

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Zinc binding site 4 out of 5 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, 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 4 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn501

b:144.1
occ:0.60
SG G:CYS224 2.3 137.8 1.0
SG G:CYS189 2.4 125.9 1.0
SG G:CYS226 2.4 149.0 1.0
SG G:CYS192 2.4 143.8 1.0
CB G:CYS189 3.3 120.4 1.0
CB G:CYS224 3.3 136.3 1.0
CB G:CYS226 3.4 147.2 1.0
CB G:CYS192 3.4 139.5 1.0
N G:CYS226 4.0 144.1 1.0
OG1 G:THR191 4.0 127.1 1.0
N G:CYS192 4.1 130.9 1.0
CA G:CYS226 4.3 144.8 1.0
CA G:CYS192 4.3 135.0 1.0
N G:THR225 4.6 139.6 1.0
CA G:CYS224 4.7 134.3 1.0
CA G:CYS189 4.7 115.6 1.0
C G:CYS224 4.9 137.5 1.0

Zinc binding site 5 out of 5 in 7rbs

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Zinc binding site 5 out of 5 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, 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 5 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Human ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn501

b:140.2
occ:0.60
SG I:CYS224 2.3 137.9 1.0
SG I:CYS189 2.4 130.5 1.0
SG I:CYS192 2.4 138.7 1.0
SG I:CYS226 2.4 144.7 1.0
CB I:CYS189 3.3 119.6 1.0
CB I:CYS224 3.3 134.8 1.0
CB I:CYS192 3.4 132.1 1.0
CB I:CYS226 3.4 144.9 1.0
N I:CYS226 3.9 140.5 1.0
CA I:CYS226 4.3 142.8 1.0
N I:THR225 4.4 135.3 1.0
N I:CYS192 4.4 127.3 1.0
OG1 I:THR191 4.4 130.6 1.0
CA I:CYS192 4.5 126.2 1.0
CA I:CYS224 4.6 131.7 1.0
CA I:CYS189 4.7 113.8 1.0
C I:CYS224 4.7 133.4 1.0
C I:THR225 4.9 137.4 1.0

Reference:

J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, 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 Human ISG15 To Be Published.
Page generated: Fri Nov 5 17:00:26 2021

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