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Zinc in PDB 6w9c: The Crystal Structure of Papain-Like Protease of Sars Cov-2

Protein crystallography data

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, PDB code: 6w9c was solved by J.Osipiuk, R.Jedrzejczak, C.Tesar, M.Endres, L.Stols, G.Babnigg, Y.Kim, K.Michalska, 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) 43.68 / 2.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 190.786, 110.280, 64.069, 90.00, 96.22, 90.00
R / Rfree (%) 23.5 / 30.9

Other elements in 6w9c:

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

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 (pdb code 6w9c). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, PDB code: 6w9c:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 6w9c

Go back to Zinc Binding Sites List in 6w9c
Zinc binding site 1 out of 3 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn501

b:99.6
occ:1.00
SG B:CYS192 2.7 0.4 1.0
SG B:CYS189 2.8 92.2 1.0
CB B:CYS189 3.3 91.4 1.0
CB B:CYS192 4.1 1.0 1.0
O B:GLN229 4.3 76.3 1.0
N B:CYS192 4.7 0.2 1.0
CA B:CYS189 4.8 90.9 1.0
O B:PRO223 4.9 97.1 1.0

Zinc binding site 2 out of 3 in 6w9c

Go back to Zinc Binding Sites List in 6w9c
Zinc binding site 2 out of 3 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:65.7
occ:1.00
CB C:CYS270 2.3 52.2 1.0
SG C:CYS270 2.4 53.1 1.0
SG B:CYS270 2.4 45.4 1.0
CB B:CYS270 2.6 45.1 1.0
SG A:CYS270 2.8 46.2 1.0
CA C:CYS270 3.4 51.1 1.0
CB A:CYS270 3.6 45.1 1.0
CA A:CYS270 3.7 44.6 1.0
N C:CYS270 3.9 51.7 1.0
O A:GLN269 3.9 45.9 1.0
CA B:CYS270 4.0 44.1 1.0
N A:CYS270 4.1 45.7 1.0
C A:GLN269 4.3 46.1 1.0
OE1 C:GLN269 4.4 54.5 1.0
N B:CYS270 4.4 44.8 1.0
CG C:GLN269 4.4 53.3 1.0
C C:GLN269 4.6 51.8 1.0
O B:GLN269 4.7 45.4 1.0
C C:CYS270 4.7 50.4 1.0
CD C:GLN269 4.7 54.3 1.0
C B:GLN269 4.8 45.6 1.0
O C:GLN269 4.8 51.8 1.0
O C:CYS270 4.9 50.9 1.0

Zinc binding site 3 out of 3 in 6w9c

Go back to Zinc Binding Sites List in 6w9c
Zinc binding site 3 out of 3 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:0.2
occ:1.00
SG C:CYS224 2.2 0.6 1.0
SG C:CYS189 2.8 89.8 1.0
SG C:CYS226 2.9 0.9 1.0
CB C:CYS224 2.9 0.7 1.0
CB C:CYS189 3.2 89.4 1.0
CB C:CYS226 3.8 0.8 1.0
CB C:CYS192 3.9 95.4 1.0
N C:CYS192 3.9 96.2 1.0
SG C:CYS192 4.0 98.6 1.0
CB C:THR191 4.1 99.3 1.0
CA C:CYS224 4.4 0.8 1.0
CA C:CYS192 4.5 95.7 1.0
N C:CYS226 4.6 0.4 1.0
OG1 C:THR191 4.6 99.3 1.0
CA C:CYS189 4.7 89.0 1.0
CA C:CYS226 4.7 0.4 1.0
CB C:LYS228 4.7 0.3 1.0
N C:THR191 4.8 96.6 1.0
CA C:THR191 4.8 98.8 1.0
C C:THR191 4.8 98.5 1.0
CG2 C:THR191 4.9 0.5 1.0

Reference:

J.Osipiuk, R.Jedrzejczak, C.Tesar, M.Endres, L.Stols, G.Babnigg, Y.Kim, K.Michalska, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2 To Be Published.
Page generated: Tue Oct 29 09:14:16 2024

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