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Chlorine in PDB 7ex2: Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form)

Enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form)

All present enzymatic activity of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form):
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form), PDB code: 7ex2 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) 26.44 / 3.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 40.409, 70.804, 69.86, 90, 90.06, 90
R / Rfree (%) 17.9 / 22.7

Other elements in 7ex2:

The structure of Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form) also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form) (pdb code 7ex2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form), PDB code: 7ex2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7ex2

Go back to Chlorine Binding Sites List in 7ex2
Chlorine binding site 1 out of 2 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form)


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 L-742,001 (Methyl Ester Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:37.2
occ:1.00
 CL A:I0N203 0.0 37.2 1.0
C15 A:I0N203 1.7 32.9 1.0
C17 A:I0N203 2.7 33.3 1.0
C14 A:I0N203 2.7 32.1 1.0
O A:LEU30 3.2 40.4 1.0
C A:LEU30 3.5 39.1 1.0
CB A:LEU30 3.8 29.4 1.0
N A:GLU31 3.9 33.7 1.0
C18 A:I0N203 4.0 33.7 1.0
C13 A:I0N203 4.0 31.4 1.0
CA A:GLU31 4.1 32.3 1.0
CA A:LEU30 4.3 35.4 1.0
CB A:HIS34 4.3 30.1 1.0
C12 A:I0N203 4.5 32.5 1.0
CB A:GLU31 4.8 31.9 1.0

Chlorine binding site 2 out of 2 in 7ex2

Go back to Chlorine Binding Sites List in 7ex2
Chlorine binding site 2 out of 2 in the Crystal Structure of Ebinur Lake Virus Cap Snatching Endonuclease in Complex with L-742,001 (Methyl Ester Form)


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 L-742,001 (Methyl Ester Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:32.3
occ:1.00
 CL B:I0N203 0.0 32.3 1.0
C15 B:I0N203 1.7 33.6 1.0
C14 B:I0N203 2.7 39.7 1.0
C17 B:I0N203 2.7 32.4 1.0
O B:LEU30 3.4 41.0 1.0
C B:LEU30 3.7 39.0 1.0
N B:GLU31 4.0 33.1 1.0
C13 B:I0N203 4.0 38.7 1.0
C18 B:I0N203 4.0 34.4 1.0
CB B:LEU30 4.0 30.2 1.0
CA B:GLU31 4.1 32.1 1.0
CB B:HIS34 4.3 34.8 1.0
CA B:LEU30 4.5 38.3 1.0
C12 B:I0N203 4.5 35.3 1.0
CB B:GLU31 4.7 32.8 1.0
CG B:HIS34 4.9 37.1 1.0
C1 B:I0N203 4.9 55.1 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 20:37:16 2024

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