Fluorine in PDB 7ex3: Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3

Enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3

All present enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3, PDB code: 7ex3 was solved by W.Kuang, Z.Hu, P.Gong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	35.63 / 2.25
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	40.666, 70.873, 71.253, 90, 90, 90
*R / R_free (%)*	19 / 22.6

Other elements in 7ex3:

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3 also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Manganese	(Mn)	2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3 (pdb code 7ex3). 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 Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3, PDB code: 7ex3:

Fluorine binding site 1 out of 1 in 7ex3

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Fluorine Binding Sites List in 7ex3

Fluorine binding site 1 out of 1 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F203 b:53.2 occ:1.00	F25	A:IA3203	0.0	53.2	1.0
	C24	A:IA3203	1.3	53.0	1.0
	C26	A:IA3203	2.4	52.5	1.0
	C23	A:IA3203	2.4	47.6	1.0
	O	A:HOH304	2.4	43.4	1.0
	C22	A:IA3203	2.9	43.7	1.0
	C30	A:IA3203	3.6	31.8	1.0
	C27	A:IA3203	3.7	51.1	1.0
	C29	A:IA3203	3.7	45.2	1.0
	N21	A:IA3203	3.8	28.1	1.0
	NZ	A:LYS108	4.1	39.6	1.0
	C28	A:IA3203	4.2	52.0	1.0
	O	A:HOH326	4.8	36.3	1.0
	O	A:HOH365	4.9	40.6	1.0
	C31	A:IA3203	5.0	23.4	1.0

Reference:

W.Kuang, H.Zhang, Y.Cai, G.Zhang, F.Deng, H.Li, Y.Zhou, M.Wang, P.Gong, Y.Guo, Z.Hu. Structural and Biochemical Basis For Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ). J.Virol. V. 96 17321 2022.
ISSN: ESSN 1098-5514
PubMed: 35266805
DOI: 10.1128/JVI.02173-21

Page generated: Fri Aug 2 06:47:25 2024

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