Brand  (β version)

PDB ID: 2H6M

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Ligands
Code Name Style Show Link
BBL N-[(benzyloxy)carbonyl]-L-alanine PoSSuM
Non-standard Residues
Code Name Show
QMM N,N-dimethyl-L-glutamine
Glycosylation
Code Name Emphasize
Modification
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ACE Acetyl group
CF0 Fluoromethane

Structure summary

Code : 2H6M   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Release Data : 2006-08-08
Compound :
mol_id molecule chains synonym
1 Picornain 3C A Protease 3C, P3C
ec: 3.4.22.28
mutation: C24S
mol_id molecule chains synonym
2 N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR I AC-LAAQMM-PMK
Source :
mol_id organism_scientific expression_system
1 Hepatitis A virus  (taxid:12092) Escherichia coli  (taxid:562)
gene: 3C gene
expression_system_strain: D1210
expression_system_vector_type: Plasmid
expression_system_plasmid: pHAV-3CEX
mol_id organism_scientific
2
synthetic: yes
Authors : Yin, J., Cherney, M.M., Bergmann, E.M., James, M.N.
Keywords : BETA BARREL, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.40 Å )
Citation :

An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors.

Yin, J.,Cherney, M.M.,Bergmann, E.M.  et al.
(2006)  J.Mol.Biol.  361 : 673 - 686

PubMed: 16860823
DOI: 10.1016/j.jmb.2006.06.047

Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-lactone: selective crystallization and formation of a functional catalytic triad in the active site

Yin, J.,Bergmann, E.M.,Cherney, M.M.  et al.
(2005)  J.Mol.Biol.  354 : 854 - 871

PubMed: 16288920

Reaction

Chain : A
UniProt : P06441 (POLG_HAVLA)
Reaction: EC: Evidence:
Physiological Direction:
a ribonucleoside 5'-triphosphate + RNA(n) = diphosphate + RNA(n+1) 2.7.7.48 UniProtKB:P08617, PROSITE-ProRule:PRU00539
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a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + H(+) + phosphate 3.6.1.15 UniProtKB:P08617
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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. 3.4.22.28 PROSITE-ProRule:PRU01222
-