Fluorine in PDB 7glh: 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 Pet-Unk-B38839DC-1 (Mpro-P1981)

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 Pet-Unk-B38839DC-1 (Mpro-P1981)

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 Pet-Unk-B38839DC-1 (Mpro-P1981):
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 Pet-Unk-B38839DC-1 (Mpro-P1981), PDB code: 7glh 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)*	36.32 / 1.91
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	68.151, 100.634, 104.935, 90, 90, 90
*R / R_free (%)*	22.2 / 25.7

Other elements in 7glh:

Chlorine

(Cl)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Pet-Unk-B38839DC-1 (Mpro-P1981) (pdb code 7glh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine 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 Pet-Unk-B38839DC-1 (Mpro-P1981), PDB code: 7glh:

Fluorine binding site 1 out of 1 in 7glh

Go back to

Fluorine Binding Sites List in 7glh

Fluorine 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 Pet-Unk-B38839DC-1 (Mpro-P1981)

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 Pet-Unk-B38839DC-1 (Mpro-P1981) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F407 b:32.9 occ:0.70	F	A:R9E407	0.0	32.9	0.7
	C17	A:R9E407	1.4	32.6	0.7
	C16	A:R9E407	2.3	32.0	0.7
	C1	A:R9E407	2.3	32.6	0.7
	O	A:R9E407	2.6	33.0	0.7
	O	A:HOH616	2.9	39.7	1.0
	O	B:HOH553	3.0	37.2	1.0
	C2	A:R9E407	3.6	32.1	0.7
	C15	A:R9E407	3.6	31.6	0.7
	C	A:R9E407	3.9	33.0	0.7
	C3	A:R9E407	4.1	31.7	0.7
	N	A:ASN142	4.3	35.7	1.0
	O	A:HOH664	4.5	45.2	1.0
	OE2	A:GLU166	4.7	44.3	1.0
	C	A:LEU141	4.8	35.1	1.0
	CB	A:ASN142	4.8	38.5	1.0
	CA	A:LEU141	4.8	35.0	1.0
	C14	A:R9E407	4.8	31.0	0.7
	N	B:SER1	4.9	38.5	1.0
	CA	A:ASN142	4.9	36.3	1.0
	OE1	A:GLU166	5.0	39.5	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: Fri Aug 2 07:40:22 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy