Chlorine in PDB 7tq5: Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 10D

Enzymatic activity of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 10D

All present enzymatic activity of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 10D:
3.4.22.69;

Protein crystallography data

The structure of Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 10D, PDB code: 7tq5 was solved by S.Lovell, L.Liu, 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) 46.37 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.381, 98.439, 59.285, 90, 108.33, 90
R / Rfree (%) 17.9 / 21.7

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 10D (pdb code 7tq5). 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 10D, PDB code: 7tq5:

Chlorine binding site 1 out of 1 in 7tq5

Go back to Chlorine Binding Sites List in 7tq5
Chlorine binding site 1 out of 1 in the Structure of Sars-Cov-2 3CL Protease in Complex with the Cyclopropane Based Inhibitor 10D


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 10D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:36.9
occ:1.00
N B:ASN228 3.1 22.9 1.0
O B:HOH626 3.2 33.9 1.0
CB B:ASN228 3.5 25.6 1.0
N B:LEU227 3.8 22.6 1.0
CB B:LEU227 3.9 25.5 1.0
CA B:ASN228 3.9 27.6 1.0
C B:LEU227 4.0 22.3 1.0
CA B:LEU227 4.1 19.4 1.0
CB B:THR226 4.3 30.2 1.0
C B:THR226 4.7 21.7 1.0
OG1 B:THR226 4.7 26.3 1.0
CG B:ASN228 4.8 25.7 1.0
CA B:THR226 4.9 27.4 1.0
CG B:LEU227 5.0 26.4 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 10D To Be Published.
Page generated: Tue Jul 30 04:46:26 2024

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