Fluorine in PDB 5ss7: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S:
3.4.19.121;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S, PDB code: 5ss7 was solved by G.J.Correy, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	36.08 / 1.15
*Space group*	P 4₃
*Cell size a, b, c (Å), α, β, γ (°)*	88.689, 88.689, 39.496, 90, 90, 90
*R / R_free (%)*	12.8 / 14.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S (pdb code 5ss7). 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 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S, PDB code: 5ss7:

Fluorine binding site 1 out of 1 in 5ss7

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Fluorine Binding Sites List in 5ss7

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S

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 NSP3 Macrodomain in Complex with ZINCNZ000004QO8S within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F201 b:24.8 occ:0.18	F08	B:RL9201	0.0	24.8	0.2
	C07	B:RL9201	1.4	24.6	0.2
	C06	B:RL9201	2.4	24.4	0.2
	C09	B:RL9201	2.4	24.6	0.2
	H101	B:RL9201	2.6	30.0	0.2
	H061	B:RL9201	2.6	29.4	0.2
	H102	B:RL9201	2.7	30.0	0.2
	C10	B:RL9201	2.8	25.0	0.2
	C05	B:RL9201	3.6	24.3	0.2
	C23	B:RL9201	3.6	24.4	0.2
	O	B:HOH551	3.8	34.1	0.8
	C04	B:RL9201	4.1	24.2	0.2
	N11	B:RL9201	4.2	25.3	0.2
	H051	B:RL9201	4.5	29.2	0.2
	H231	B:RL9201	4.5	29.3	0.2
	H111	B:RL9201	4.8	30.4	0.2
	O13	B:RL9201	4.9	25.9	0.2

Reference:

G.J.Correy, J.S.Fraser. Ligand Screen Against Sars-Cov-2 NSP3 Macrodomain To Be Published.

Page generated: Thu Aug 1 14:55:49 2024

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