Brand  (β version)

PDB ID: 2B0F

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Ligands
Code Name Style Show Link
Non-standard Residues
Code Name Show
YTF Ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
Glycosylation
Code Name Emphasize
Modification
Code Name Show
ACE Acetyl group

Structure summary

Code : 2B0F   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : NMR Structure of the Human Rhinovirus 3C Protease (serotype 14) with covalently bound Ace-LEALFQ-ethylpropionate inhibitor
Release Data : 2006-09-05
Compound :
mol_id molecule chains synonym
1 Protease 3C A Picornain 3C,P3C
ec: 3.4.22.28
fragment: Human Rhinovirus serotype 14 3C Protease
mol_id molecule chains
2 Ace-LEALFQ-ethylpropionate B
Source :
mol_id organism_scientific expression_system
1 Rhinovirus B14  (taxid:12131) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21-DE3
expression_system_vector_type: plasmid
expression_system_plasmid: pLysS
mol_id organism_scientific
2 Synthetic construct  (taxid:32630)
synthetic: yes
other_details: Peptidyl inhibitor synthesized via solid and solution phase pedtide synthesis
Authors : Bjorndahl, T.C., Andrew, L.C., Wishart, D.S.
Keywords : BETA BARREL, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : SOLUTION NMR
Citation :

NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison

Bjorndahl, T.C.,Andrew, L.C.,Semenchenko, V.  et al.
(2007)  Biochemistry  46 : 12945 - 12958

PubMed: 17944485
DOI: 10.1021/bi7010866

Reaction

Chain : A
UniProt : P03303 (POLG_HRV14)
Reaction: EC: Evidence:
Physiological Direction:
[Protein 2C]
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + phosphate + H(+) 		3.6.1.15 UniProtKB:P03300
-
[Protease 2A]
Selective cleavage of Tyr-|-Gly bond in the picornavirus polyprotein. 		3.4.22.29 UniProtKB:P03300
-
[RNA-directed RNA polymerase]
RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate 		2.7.7.48 PROSITE-ProRule:PRU00539
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[Protease 3C]
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
-
Cofactor: Evidence: Note:
Mg(2+) ECO:0000250 | UniProtKB:P03300
Binds 2 magnesium ions that constitute a dinuclear catalytic metal center (By similarity). The magnesium ions are not prebound but only present for catalysis (By similarity). Requires the presence of 3CDpro or 3CPro (By similarity).