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Chlorine in PDB 7ex4: Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5

Enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5

All present enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5, PDB code: 7ex4 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) 35.41 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.933, 70.566, 70.882, 90, 90, 90
R / Rfree (%) 20.5 / 23.6

Other elements in 7ex4:

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5 also contains other interesting chemical elements:

Bromine (Br) 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 5 (pdb code 7ex4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5, PDB code: 7ex4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7ex4

Go back to Chlorine Binding Sites List in 7ex4
Chlorine binding site 1 out of 3 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5


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 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:31.5
occ:1.00
 CL1 A:IA5203 0.0 31.5 1.0
C15 A:IA5203 1.8 25.8 1.0
C17 A:IA5203 2.7 25.5 1.0
C14 A:IA5203 2.8 29.0 1.0
O A:HOH363 3.3 33.1 1.0
O A:HOH368 3.4 33.7 1.0
O A:LEU30 3.5 24.0 1.0
O A:HOH371 3.7 24.0 1.0
C A:LEU30 3.8 24.1 1.0
CA A:GLU31 3.9 21.6 1.0
N A:GLU31 3.9 23.2 1.0
O A:HOH352 4.0 32.5 1.0
C18 A:IA5203 4.1 27.1 1.0
C13 A:IA5203 4.1 32.0 1.0
CB A:HIS34 4.2 20.3 1.0
CB A:LEU30 4.2 24.8 1.0
C12 A:IA5203 4.6 26.8 1.0
CA A:LEU30 4.6 24.5 1.0
CB A:GLU31 4.7 23.2 1.0
CG A:HIS34 4.7 22.3 1.0
CD2 A:HIS34 4.9 22.1 1.0

Chlorine binding site 2 out of 3 in 7ex4

Go back to Chlorine Binding Sites List in 7ex4
Chlorine binding site 2 out of 3 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5


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 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:29.6
occ:1.00
 OH A:TYR109 3.1 25.0 1.0
NZ A:LYS108 3.1 40.5 1.0
N A:THR77 3.3 23.9 1.0
O A:HOH379 3.3 43.0 1.0
CB A:VAL76 3.6 24.1 1.0
CE1 A:TYR109 3.7 23.3 1.0
C24 A:IA5203 3.7 54.9 1.0
CA A:VAL76 3.8 27.1 1.0
CZ A:TYR109 3.8 23.4 1.0
C A:VAL76 4.0 25.9 1.0
CG1 A:VAL76 4.1 24.8 1.0
OG1 A:THR77 4.1 28.3 1.0
C A:THR77 4.1 22.6 1.0
O A:THR77 4.2 24.0 1.0
CA A:THR77 4.2 23.2 1.0
C22 A:IA5203 4.3 45.4 1.0
CE A:LYS108 4.3 37.1 1.0
O A:HOH390 4.4 40.2 1.0
C23 A:IA5203 4.5 55.4 1.0
N A:PRO78 4.7 24.1 1.0
C25 A:IA5203 4.7 62.5 1.0
BR1 A:IA5203 4.7 116.4 1.0
CB A:THR77 4.8 23.8 1.0
O A:HOH332 4.8 23.8 1.0
CD A:LYS108 4.9 35.5 1.0
CG2 A:VAL76 4.9 22.5 1.0
CD1 A:TYR109 5.0 25.0 1.0

Chlorine binding site 3 out of 3 in 7ex4

Go back to Chlorine Binding Sites List in 7ex4
Chlorine binding site 3 out of 3 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with Inhibitor 5


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 5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:34.9
occ:1.00
 O A:HOH389 3.0 37.7 1.0
N A:ARG17 3.2 30.8 1.0
OG1 A:THR18 3.4 32.1 1.0
N A:THR18 3.5 30.7 1.0
CG2 A:VAL21 3.6 35.2 1.0
CB A:VAL21 3.8 30.4 1.0
CG2 A:VAL16 3.9 28.4 1.0
CG2 A:THR18 3.9 33.5 1.0
CA A:ARG17 3.9 30.1 1.0
CA A:VAL16 4.0 31.4 1.0
C A:VAL16 4.1 29.5 1.0
CB A:ARG17 4.1 36.4 1.0
CG1 A:VAL21 4.1 29.9 1.0
CB A:THR18 4.1 30.0 1.0
C A:ARG17 4.1 32.1 1.0
CA A:THR18 4.4 29.2 1.0
CG A:ARG17 4.5 35.7 1.0
CB A:VAL16 4.6 30.7 1.0
O A:ALA15 4.8 34.0 1.0
O A:THR18 4.8 28.8 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: Mon Jul 29 20:37:50 2024

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