 |
PDBsum entry 5c20
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Hydrolase/hydrolase inhibitor
|
PDB id
|
|
|
|
5c20
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Hydrolase/hydrolase inhibitor
|
|
|
Title:
|
|
Crystal structure of ev71 3c proteinase in complex with compound 2
|
|
Structure:
|
|
3c proteinase. Chain: a. Engineered: yes
|
|
Source:
|
|
Enterovirus a71. Organism_taxid: 39054. Strain: e2004104-tw-cdc. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
|
|
Resolution:
|
|
|
2.75Å
|
R-factor:
|
0.215
|
R-free:
|
0.282
|
|
|
Authors:
|
|
L.Zhang,G.Huang,Q.Cai,C.Zhao,H.Ren,P.Li,N.Li,S.Chen,J.Li,T.Lin
|
|
Key ref:
|
|
L.Zhang
et al.
(2016).
Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71.
J Mol Recognit,
29,
520-527.
PubMed id:
DOI:
|
|
|
Date:
|
|
|
15-Jun-15
|
Release date:
|
01-Jun-16
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
A9XG43
(A9XG43_HE71) -
Genome polyprotein from Human enterovirus 71
|
|
|
|
Seq:
Struc:
|
|
|
|
2193 a.a.
181 a.a.*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class 2:
|
|
E.C.2.7.7.48
- RNA-directed Rna polymerase.
|
|
|
|
|
|
|
Reaction:
|
|
RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
|
|
|
|
|
|
RNA(n)
|
+
|
ribonucleoside 5'-triphosphate
|
=
|
RNA(n+1)
|
+
|
diphosphate
|
|
|
|
|
|
|
|
|
|
Enzyme class 3:
|
|
E.C.3.4.22.28
- picornain 3C.
|
|
|
|
|
|
|
Reaction:
|
|
Selective cleavage of Gln-|-Gly bond in the poliovirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
|
|
|
|
|
|
Enzyme class 4:
|
|
E.C.3.4.22.29
- picornain 2A.
|
|
|
|
|
|
|
Reaction:
|
|
Selective cleavage of Tyr-|-Gly bond in the picornavirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
|
|
|
|
|
|
Enzyme class 5:
|
|
E.C.3.6.1.15
- nucleoside-triphosphate phosphatase.
|
|
|
|
|
|
|
Reaction:
|
|
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate + phosphate + H+
|
|
|
|
|
|
ribonucleoside 5'-triphosphate
|
+
|
H2O
|
=
|
ribonucleoside 5'-diphosphate
|
+
|
phosphate
|
+
|
H(+)
|
|
|
|
|
|
|
|
|
|
|
|
|
Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
DOI no:
|
J Mol Recognit
29:520-527
(2016)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71.
|
|
L.Zhang,
G.Huang,
Q.Cai,
C.Zhao,
L.Tang,
H.Ren,
P.Li,
N.Li,
J.Huang,
X.Chen,
Y.Guan,
H.You,
S.Chen,
J.Li,
T.Lin.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
