Chlorine in PDB 7tq4: Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C

Enzymatic activity of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C

All present enzymatic activity of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C:
3.4.22.69;

Protein crystallography data

The structure of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C, PDB code: 7tq4 was solved by S.Lovell, K.P.Battaile, H.N.Nguyen, S.D.Chamandi, H.R.Picard, T.K.Madden, H.A.Thruman, Y.Kim, W.C.Groutas, K.O.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.40 / 2.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.875, 53.867, 45.621, 90, 101.59, 90
R / Rfree (%) 21.3 / 29.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C (pdb code 7tq4). 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 Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C, PDB code: 7tq4:

Chlorine binding site 1 out of 1 in 7tq4

Go back to Chlorine Binding Sites List in 7tq4
Chlorine binding site 1 out of 1 in the Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:85.2
occ:1.00
CL28 A:IRZ401 0.0 85.2 1.0
C27 A:IRZ401 1.8 49.1 1.0
C29 A:IRZ401 2.8 54.7 1.0
C26 A:IRZ401 2.8 48.1 1.0
CB A:PRO168 3.9 37.4 1.0
C30 A:IRZ401 4.1 58.8 1.0
C25 A:IRZ401 4.1 43.6 1.0
CG A:PRO168 4.3 37.0 1.0
CA A:PRO168 4.4 47.5 1.0
O A:HOH510 4.5 40.1 1.0
C31 A:IRZ401 4.6 54.3 1.0

Reference:

S.D.Chamandi, H.N.Nguyen, A.D.Rathnayake, Y.Kim, K.D.Perera, H.R.Picard, T.Madden, H.A.Thurman, M.M.Kashipathy, L.Liu, K.P.Battaile, S.Lovell, K.O.Chang, W.C.Groutas. Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 6C To Be Published.
Page generated: Tue Apr 4 21:53:13 2023

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