Chlorine in PDB 7lkw: 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C)

Enzymatic activity of 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C)

All present enzymatic activity of 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C):
3.4.22.69;

Protein crystallography data

The structure of 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C), PDB code: 7lkw was solved by S.Lovell, M.M.Kashipathy, K.P.Battaile, S.D.Chamandi, A.D.Rathnayake, H.N.Nguyen, M.A.Baird, Y.Kim, N.Shadipeni, K.O.Chang, W.C.Groutas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.72 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.984, 98.493, 58.514, 90, 107.65, 90
R / Rfree (%) 18.6 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C) (pdb code 7lkw). 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 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C), PDB code: 7lkw:

Chlorine binding site 1 out of 1 in 7lkw

Go back to Chlorine Binding Sites List in 7lkw
Chlorine binding site 1 out of 1 in the 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:65.0
occ:1.00
 ND1 A:HIS64 3.5 53.3 1.0
CB A:ASN63 3.6 37.2 1.0
N A:ASN63 3.7 40.6 1.0
N A:HIS64 3.8 42.5 1.0
CB A:SER62 3.9 48.1 1.0
CA A:ASN63 4.1 34.5 1.0
ND2 A:ASN63 4.3 39.8 1.0
CB A:HIS64 4.4 51.2 1.0
CG A:HIS64 4.4 48.6 1.0
CG A:ASN63 4.4 50.0 1.0
C A:ASN63 4.5 47.5 1.0
CE1 A:HIS64 4.5 61.0 1.0
C A:SER62 4.5 42.0 1.0
CA A:SER62 4.7 40.5 1.0
CA A:HIS64 4.7 45.7 1.0
OG A:SER62 4.8 63.0 1.0

Reference:

S.D.Chamandi, Y.Kim, N.Shadipeni, A.D.Rathnayake, H.N.Nguyen, J.Zhang, M.M.Kashipathy, M.A.Baird, K.P.Battaile, S.Lovell, S.Perlman, K.O.Chang, W.C.Groutas. 1.65 A Resolution Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 3D (Deuterated Analog of Inhibitor 3C) To Be Published.
Page generated: Wed Mar 3 12:59:29 2021

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