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Chlorine in PDB 7gh1: Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731)

Enzymatic activity of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731)

All present enzymatic activity of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731):
3.4.22.69;

Protein crystallography data

The structure of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731), PDB code: 7gh1 was solved by D.Fearon, A.Aimon, J.C.Aschenbrenner, B.H.Balcomb, F.K.R.Bertram, J.Brandao-Neto, A.Dias, A.Douangamath, L.Dunnett, A.S.Godoy, T.J.Gorrie-Stone, L.Koekemoer, T.Krojer, R.M.Lithgo, P.Lukacik, P.G.Marples, H.Mikolajek, E.Nelson, C.D.Owen, A.J.Powell, V.L.Rangel, R.Skyner, C.M.Strain-Damerell, W.Thompson, C.W.E.Tomlinson, C.Wild, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.37 / 1.52
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.84, 52.59, 44.54, 90, 102.87, 90
R / Rfree (%) 18.3 / 21.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731) (pdb code 7gh1). 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 Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731), PDB code: 7gh1:

Chlorine binding site 1 out of 1 in 7gh1

Go back to Chlorine Binding Sites List in 7gh1
Chlorine binding site 1 out of 1 in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Mat-Pos-2BB0CF2B-1 (Mpro-X12731) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:35.3
occ:1.00
CL A:PZ6404 0.0 35.3 1.0
C7 A:PZ6404 1.7 34.6 1.0
C8 A:PZ6404 2.7 34.1 1.0
C6 A:PZ6404 2.7 34.4 1.0
OD1 A:ASN142 3.6 36.3 1.0
O A:HOH501 3.8 49.6 1.0
C5 A:PZ6404 4.0 34.1 1.0
C9 A:PZ6404 4.0 33.6 1.0
C18 A:PZ6404 4.2 28.4 1.0
C17 A:PZ6404 4.3 28.3 1.0
O A:HOH729 4.4 37.5 1.0
CG A:ASN142 4.5 32.8 1.0
C4 A:PZ6404 4.5 33.9 1.0
O A:HOH717 4.7 38.3 1.0
ND2 A:ASN142 5.0 33.7 1.0

Reference:

M.L.Boby, D.Fearon, M.Ferla, M.Filep, L.Koekemoer, M.C.Robinson, The Covid Moonshot Consortium, J.D.Chodera, A.A.Lee, N.London, A.Von Delft, F.Von Delft. Open Science Discovery of Potent Noncovalent Sars-Cov-2 Main Protease Inhibitors Science 2023.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ABO7201
Page generated: Sun Jul 13 01:27:34 2025

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