Fluorine in PDB 5rlp: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480:
3.6.4.12; 3.6.4.13;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480, PDB code: 5rlp was solved by J.A.Newman, Y.Yosaatmadja, A.Douangamath, A.Aimon, A.J.Powell, A.Dias, D.Fearon, L.Dunnett, J.Brandao-Neto, T.Krojer, R.Skyner, T.Gorrie-Stone, W.Thompson, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	81.65 / 2.56
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	59.200, 70.258, 85.676, 102.75, 96.19, 112.40
*R / R_free (%)*	14.1 / 25.3

Other elements in 5rlp:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480 also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480 (pdb code 5rlp). 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 Sars-Cov-2 Helicase in Complex with Z166605480, PDB code: 5rlp:

Fluorine binding site 1 out of 1 in 5rlp

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Fluorine Binding Sites List in 5rlp

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z166605480

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 Sars-Cov-2 Helicase in Complex with Z166605480 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F701 b:30.0 occ:0.48	F1	B:VWA701	0.0	30.0	0.5
	C7	B:VWA701	1.4	29.7	0.5
	C6	B:VWA701	2.3	29.5	0.5
	C8	B:VWA701	2.3	29.7	0.5
	O	B:GLU551	2.8	69.8	1.0
	C	B:THR552	2.9	53.2	1.0
	CA	B:THR552	3.0	55.4	1.0
	N	B:ALA553	3.1	53.1	1.0
	O	B:THR552	3.5	52.9	1.0
	C	B:GLU551	3.5	65.0	1.0
	C9	B:VWA701	3.6	29.9	0.5
	C5	B:VWA701	3.6	29.9	0.5
	N	B:THR552	3.6	57.7	1.0
	O	B:HOH1040	4.0	67.5	1.0
	CA	B:ALA553	4.0	52.0	1.0
	C4	B:VWA701	4.1	30.8	0.5
	CB	B:THR552	4.3	53.1	1.0
	O	B:HOH846	4.5	47.9	1.0
	CB	B:ALA553	4.6	53.3	1.0
	CA	B:GLU551	4.8	67.1	1.0
	SG	B:CYS556	4.9	47.6	1.0

Reference:

J.A.Newman, Y.Yosaatmadja, A.Douangamath, A.Aimon, A.J.Powell, A.Dias, D.Fearon, L.Dunnett, J.Brandao-Neto, T.Krojer, R.Skyner, T.Gorrie-Stone, W.Thompson, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.

Page generated: Thu Aug 1 13:57:06 2024

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