BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 4617

Title: Structure of hetero complex of non structural protein (NS) of hepatitis C virus (HCV) and synthetic peptidic compound   PubMed: 10716920

Authors: Barbato, G.; Cicero, D.; Cordier, F.; Narjes, F.; Gerlach, B.; Sambucini, S.; Grzesiek, S.; Matassa, V.; DeFrancesco, R.; Bazzo, R.

Citation: Barbato, G.; Cicero, D.; Cordier, F.; Narjes, F.; Gerlach, B.; Sambucini, S.; Grzesiek, S.; Matassa, V.; DeFrancesco, R.; Bazzo, R.. "Inhibitor binding induces active site stabilization of the HCV NS3 protein serine protease domain"  EMBO J. 19, 1195-1206 (2000).

Assembly members:
serine protease, polymer, 186 residues, Formula weight is not available
modified tripeptide inhibitor, polymer, 3 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: HCV   Taxonomy ID: 11105   Superkingdom: Viruses   Kingdom: not available   Genus/species: Hepacivirus Hepatitis C virus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
serine protease: APITAYSQQTRGLLGCIITS LTGRDKNQVEGEVQVVSTAT QSFLATCVNGVCWTVYHGAG SKTLAGPKGPITQMYTNVDQ DLVGWQAPPGARSLTPCTCG SSDLYLVTRHADVIPVRRRG DSRGSLLSPRPVSYLKGSSG GPLLCPSGHAVGIFRAAVCT RGVAKAVDFVPVESMETTMR ASKKKK
modified tripeptide inhibitor: ELX

Data sets:
Data typeCount
13C chemical shifts268
coupling constants91

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HCV NS31
2Zn 2+3
3modified tripeptide inhibitor2

Entities:

Entity 1, HCV NS3 186 residues - Formula weight is not available

1   ALAPROILETHRALATYRSERGLNGLNTHR
2   ARGGLYLEULEUGLYCYSILEILETHRSER
3   LEUTHRGLYARGASPLYSASNGLNVALGLU
4   GLYGLUVALGLNVALVALSERTHRALATHR
5   GLNSERPHELEUALATHRCYSVALASNGLY
6   VALCYSTRPTHRVALTYRHISGLYALAGLY
7   SERLYSTHRLEUALAGLYPROLYSGLYPRO
8   ILETHRGLNMETTYRTHRASNVALASPGLN
9   ASPLEUVALGLYTRPGLNALAPROPROGLY
10   ALAARGSERLEUTHRPROCYSTHRCYSGLY
11   SERSERASPLEUTYRLEUVALTHRARGHIS
12   ALAASPVALILEPROVALARGARGARGGLY
13   ASPSERARGGLYSERLEULEUSERPROARG
14   PROVALSERTYRLEULYSGLYSERSERGLY
15   GLYPROLEULEUCYSPROSERGLYHISALA
16   VALGLYILEPHEARGALAALAVALCYSTHR
17   ARGGLYVALALALYSALAVALASPPHEVAL
18   PROVALGLUSERMETGLUTHRTHRMETARG
19   ALASERLYSLYSLYSLYS

Entity 3, Zn 2+ - Zn - 65.409 Da.

1   ZN

Entity 2, modified tripeptide inhibitor 3 residues - Formula weight is not available

1   GLULEUABK

Samples:

sample_1: serine protease mM

sample_cond_1: pH: 6.6; temperature: 298 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
not reportedsample_1not availablesample_cond_1

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ BAA01728 BAA03375 BAA09072 BAA09073 BAA09075
EMBL CAA03854 CAB46677 CAB46911 CAB46913 CAB46915
GB AAA72945 AAA86907 AAD44718 AAD50312 AAD56180
SP P26663 Q9WMX2