Chlorine in PDB 8e65: Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor

Enzymatic activity of Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor

All present enzymatic activity of Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor, PDB code: 8e65 was solved by S.Lovell, L.Liu, K.P.Battaile, M.J.Miller, W.C.Groutas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.45 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.075, 53.35, 45.944, 90, 102.34, 90
R / Rfree (%) 18.1 / 23.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor (pdb code 8e65). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor, PDB code: 8e65:

Chlorine binding site 1 out of 1 in 8e65

Go back to Chlorine Binding Sites List in 8e65
Chlorine binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P- Chlorodimethyl Oxybenzene Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:70.2
occ:1.00
CL01 A:WF5401 0.0 70.2 1.0
C02 A:WF5401 1.8 57.9 1.0
C05 A:WF5401 2.8 46.9 1.0
C03 A:WF5401 2.8 48.6 1.0
OD1 A:ASN142 3.3 49.3 1.0
CG A:ASN142 3.8 40.8 1.0
ND2 A:ASN142 4.0 49.4 1.0
C06 A:WF5401 4.1 37.5 1.0
C04 A:WF5401 4.1 41.9 1.0
C07 A:WF5401 4.6 36.8 1.0
CB A:ASN142 4.9 31.1 1.0

Reference:

S.Lovell, W.C.Groutas. Crystal Structure of Sars-Cov-2 3CL Protease in Complex with A P-Chlorodimethyl Oxybenzene Inhibitor To Be Published.
Page generated: Tue Jul 30 08:57:38 2024

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