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PDBsum entry 2xya

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Hydrolase PDB id
2xya
Jmol
Contents
Protein chain
182 a.a.
Ligands
7L4
Waters ×30
PDB id:
2xya
Name: Hydrolase
Title: Non-covalent inhibtors of rhinovirus 3c protease.
Structure: Picornain 3c. Chain: a. Synonym: protease 3c, p3c, human rhinovirus 3c protease. Engineered: yes
Source: Human rhinovirus sp.. Organism_taxid: 169066. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
2.40Å     R-factor:   0.229     R-free:   0.288
Authors: J.Petersen,K.Edman,F.Edfeldt,C.Johansson
Key ref: A.Baxter et al. (2011). Non-covalent inhibitors of rhinovirus 3C protease. Bioorg Med Chem Lett, 21, 777-780. PubMed id: 21183345 DOI: 10.1016/j.bmcl.2010.11.110
Date:
16-Nov-10     Release date:   27-Apr-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P04936  (POLG_HRV2) -  Genome polyprotein
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
2150 a.a.
182 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class 2: E.C.2.7.7.48  - RNA-directed Rna polymerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
Nucleoside triphosphate
+ RNA(n)
= diphosphate
+ RNA(n+1)
   Enzyme class 3: E.C.3.4.22.28  - Picornain 3C.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      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.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      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.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: NTP + H2O = NDP + phosphate
NTP
+ H(2)O
= NDP
+ phosphate
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
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     proteolysis   1 term 
  Biochemical function     catalytic activity     2 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2010.11.110 Bioorg Med Chem Lett 21:777-780 (2011)
PubMed id: 21183345  
 
 
Non-covalent inhibitors of rhinovirus 3C protease.
A.Baxter, M.Chambers, F.Edfeldt, K.Edman, A.Freeman, C.Johansson, S.King, A.Morley, J.Petersen, P.Rawlins, L.Spadola, B.Thong, H.Van de Poël, N.Williams.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21315179 F.N.Edfeldt, R.H.Folmer, and A.L.Breeze (2011).
Fragment screening to predict druggability (ligandability) and lead discovery success.
  Drug Discov Today, 16, 284-287.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.