Atomistry » Chlorine » PDB 7eo5-7f58 » 7ex3
Atomistry »
  Chlorine »
    PDB 7eo5-7f58 »
      7ex3 »

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 / Rfree (%) 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

Go back to 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

Go back to 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

Go back to 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

Go back to 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: Tue Apr 4 20:34:40 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy