Fluorine in PDB 7gp8: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177, PDB code: 7gp8 was solved by R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, 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)*	38.71 / 1.35
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	42.838, 62.605, 147.578, 90, 90, 90
*R / R_free (%)*	18.7 / 20.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177 (pdb code 7gp8). 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 Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177, PDB code: 7gp8:

Fluorine binding site 1 out of 1 in 7gp8

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Fluorine Binding Sites List in 7gp8

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z53825177 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F201 b:93.3 occ:0.70	F1	B:VVG201	0.0	93.3	0.7
	C8	B:VVG201	1.4	89.9	0.7
	C3	B:VVG201	2.3	93.8	0.7
	C7	B:VVG201	2.3	85.3	0.7
	N1	B:VVG201	2.7	104.7	0.7
	C1	B:VVG201	3.2	108.8	0.7
	C6	B:VVG201	3.6	82.1	0.7
	C4	B:VVG201	3.6	88.2	0.7
	S1	B:VVG201	4.0	109.7	0.7
	C2	B:VVG201	4.1	108.6	0.7
	C5	B:VVG201	4.1	82.9	0.7
	CB	B:GLU21	4.4	31.9	0.7
	O	B:HOH422	4.6	44.9	0.7
	CA	B:GLU21	4.7	27.6	0.7
	O2	B:VVG201	4.8	109.0	0.7
	O1	B:VVG201	4.9	115.1	0.7

Reference:

R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition To Be Published.

Page generated: Fri Aug 2 07:43:01 2024

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