Chlorine 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:

Fluorine	(F)	1 atom
Manganese	(Mn)	2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 3, PDB code: 7ex3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7ex3

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Chlorine Binding Sites List in 7ex3

Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl203 b:30.0 occ:1.00	CL1	A:IA3203	0.0	30.0	1.0
	C15	A:IA3203	1.8	26.3	1.0
	C17	A:IA3203	2.7	24.4	1.0
	C14	A:IA3203	2.7	25.9	1.0
	O	A:LEU30	3.4	25.2	1.0
	O	A:HOH367	3.5	27.2	1.0
	O	A:HOH364	3.7	36.7	1.0
	C	A:LEU30	3.7	26.1	1.0
	O	A:HOH311	3.8	28.5	1.0
	N	A:GLU31	3.9	24.3	1.0
	CA	A:GLU31	3.9	22.8	1.0
	C18	A:IA3203	4.0	24.7	1.0
	C13	A:IA3203	4.0	27.0	1.0
	CB	A:HIS34	4.1	22.4	1.0
	CB	A:LEU30	4.1	24.7	1.0
	CA	A:LEU30	4.5	25.9	1.0
	CG	A:HIS34	4.6	23.7	1.0
	C12	A:IA3203	4.6	25.3	1.0
	CB	A:GLU31	4.7	24.0	1.0
	C1	A:IA3203	4.8	31.2	1.0
	CD2	A:HIS34	4.8	21.8	1.0

Chlorine binding site 2 out of 4 in 7ex3

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Chlorine Binding Sites List in 7ex3

Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl204 b:27.1 occ:1.00	O	A:HOH374	3.0	28.9	1.0
	OH	A:TYR109	3.0	23.7	1.0
	NZ	A:LYS108	3.2	39.6	1.0
	N	A:THR77	3.3	22.8	1.0
	CB	A:VAL76	3.7	26.8	1.0
	CE1	A:TYR109	3.8	23.5	1.0
	CZ	A:TYR109	3.9	23.5	1.0
	CA	A:VAL76	3.9	25.1	1.0
	OG1	A:THR77	3.9	26.1	1.0
	O	A:HOH365	4.0	40.6	1.0
	CG1	A:VAL76	4.1	27.1	1.0
	C	A:VAL76	4.1	23.7	1.0
	CE	A:LYS108	4.1	31.9	1.0
	C22	A:IA3203	4.1	43.7	1.0
	C	A:THR77	4.1	23.4	1.0
	O	A:THR77	4.2	22.4	1.0
	CA	A:THR77	4.2	21.5	1.0
	O	A:HOH304	4.6	43.4	1.0
	N	A:PRO78	4.7	23.8	1.0
	CB	A:THR77	4.7	26.1	1.0
	O	A:HOH323	4.8	22.2	1.0
	CD	A:LYS108	4.9	32.4	1.0
	C23	A:IA3203	5.0	47.6	1.0

Chlorine binding site 3 out of 4 in 7ex3

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Chlorine Binding Sites List in 7ex3

Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl205 b:36.3 occ:1.00	CG2	A:THR18	4.4	30.6	1.0

Chlorine binding site 4 out of 4 in 7ex3

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Chlorine Binding Sites List in 7ex3

Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl206 b:40.8 occ:1.00	O	A:HOH377	3.0	40.0	1.0
	N	A:ARG17	3.0	30.9	1.0
	OG1	A:THR18	3.4	33.3	1.0
	N	A:THR18	3.4	33.9	1.0
	CG2	A:VAL21	3.7	32.4	1.0
	CB	A:VAL21	3.7	34.0	1.0
	CG2	A:VAL16	3.8	29.1	1.0
	CA	A:ARG17	3.8	30.1	1.0
	CA	A:VAL16	3.9	31.4	1.0
	C	A:VAL16	4.0	30.5	1.0
	CG1	A:VAL21	4.0	31.8	1.0
	CG2	A:THR18	4.0	30.6	1.0
	CB	A:ARG17	4.0	36.8	1.0
	C	A:ARG17	4.1	31.9	1.0
	CB	A:THR18	4.1	31.6	1.0
	CA	A:THR18	4.3	29.1	1.0
	CB	A:VAL16	4.5	30.8	1.0
	CG	A:ARG17	4.6	36.6	1.0
	O	A:ALA15	4.7	36.3	1.0
	O	A:THR18	4.8	33.5	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: Sun Jul 13 00:29:38 2025

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