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Zinc in PDB 3e9s: A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication

Protein crystallography data

The structure of A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication, PDB code: 3e9s was solved by A.D.Mesecar, K.Ratia, S.Pegan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.14 / 2.50
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 71.703, 90.684, 109.537, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 26.1

Other elements in 3e9s:

The structure of A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication (pdb code 3e9s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication, PDB code: 3e9s:

Zinc binding site 1 out of 1 in 3e9s

Go back to Zinc Binding Sites List in 3e9s
Zinc binding site 1 out of 1 in the A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn318

b:0.1
occ:1.00
SG A:CYS225 2.6 86.4 1.0
SG A:CYS190 2.7 86.7 1.0
SG A:CYS193 2.7 95.0 1.0
SG A:CYS227 2.8 0.2 1.0
C A:CYS227 3.6 0.1 1.0
O A:CYS227 3.6 0.3 1.0
CB A:CYS193 3.6 90.5 1.0
N A:CYS227 3.8 97.7 1.0
N A:CYS193 3.9 90.2 1.0
CB A:CYS225 3.9 88.1 1.0
N A:GLY228 3.9 0.7 1.0
CB A:CYS190 4.0 85.3 1.0
CA A:CYS227 4.1 99.5 1.0
CB A:CYS227 4.1 0.3 1.0
CB A:HIS192 4.2 93.1 1.0
CA A:GLY228 4.3 1.0 1.0
CA A:CYS193 4.4 89.6 1.0
N A:VAL226 4.7 92.8 1.0
C A:HIS192 4.9 91.3 1.0
ND1 A:HIS192 4.9 94.3 1.0
C A:VAL226 4.9 96.2 1.0
CA A:HIS192 5.0 91.8 1.0
CG A:HIS192 5.0 94.1 1.0

Reference:

A.D.Mesecar, K.Ratia, S.Pegan. A New Class of Papain-Like Protease/Deubiquitinase Inhibitors Blocks Sars Virus Replication To Be Published.
Page generated: Wed Dec 16 04:15:17 2020

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