Zinc in PDB 7m1y: The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Ebselen

Protein crystallography data

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Ebselen, PDB code: 7m1y was solved by J.Osipiuk, C.Tesar, M.Endres, N.Maltseva, 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) 49.80 / 2.02
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 114.887, 114.887, 252.82, 90, 90, 120
R / Rfree (%) 18.4 / 21.3

Other elements in 7m1y:

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

Chlorine (Cl) 2 atoms
Iodine (I) 13 atoms
Sodium (Na) 2 atoms

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 Ebselen (pdb code 7m1y). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Ebselen, PDB code: 7m1y:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7m1y

Go back to Zinc Binding Sites List in 7m1y
Zinc binding site 1 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Ebselen


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 Ebselen within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:90.3
occ:1.00
SG A:CYS224 2.0 89.7 1.0
SG A:CYS192 2.4 91.7 1.0
SG A:CYS189 2.5 77.3 1.0
SG A:CYS226 2.6 88.1 1.0
CB A:CYS224 3.0 84.3 1.0
CB A:CYS192 3.2 88.5 1.0
CB A:CYS189 3.2 67.6 1.0
CB A:CYS226 3.5 92.9 1.0
N A:CYS192 3.8 84.9 1.0
CA A:CYS192 4.1 87.6 1.0
N A:CYS226 4.2 90.0 1.0
CA A:CYS224 4.4 81.8 1.0
CA A:CYS226 4.4 93.0 1.0
CG2 A:THR191 4.6 90.2 1.0
CB A:THR191 4.7 89.6 1.0
CA A:CYS189 4.7 67.5 1.0
C A:CYS224 4.8 79.6 1.0
N A:THR225 4.8 79.7 1.0
C A:THR191 4.9 85.3 1.0
CB A:LYS228 5.0 89.7 1.0

Zinc binding site 2 out of 2 in 7m1y

Go back to Zinc Binding Sites List in 7m1y
Zinc binding site 2 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with Ebselen


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 Ebselen within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn404

b:67.0
occ:1.00
SG B:CYS189 2.4 60.0 1.0
SG B:CYS192 2.4 68.4 1.0
SG B:CYS226 2.4 65.7 1.0
SG B:CYS224 2.5 70.3 1.0
CB B:CYS224 3.1 72.0 1.0
CB B:CYS189 3.1 56.2 1.0
CB B:CYS226 3.3 66.4 1.0
CB B:CYS192 3.4 64.4 1.0
N B:CYS192 3.9 63.1 1.0
CA B:CYS192 4.3 64.5 1.0
N B:CYS226 4.3 63.3 1.0
CA B:CYS226 4.4 63.6 1.0
CA B:CYS224 4.6 68.5 1.0
CA B:CYS189 4.6 57.6 1.0
CB B:THR191 4.8 68.6 1.0
CD B:LYS228 4.9 78.5 1.0
CB B:LYS228 4.9 70.3 1.0

Reference:

J.Osipiuk, C.Tesar, M.Endres, N.Maltseva, 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 Ebselen To Be Published.
Page generated: Sat Apr 3 18:40:10 2021

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