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Biological Magnetic Resonance Data Bank


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BMRB Entry 15278

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15278
MolProbity Validation Chart

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Title: Leader Protease   PubMed: 17897674

Deposition date: 2007-06-01 Original release date: 2007-07-06

Authors: Cencic, Regina; Mayer, Christina; Juliano, Maria; Juliano, Luiz; Konrat, Robert; Kontaxis, Georg; Skern, Tim

Citation: Cencic, Regina; Mayer, Christina; Juliano, Maria; Juliano, Luiz; Konrat, Robert; Kontaxis, Georg; Skern, Tim. "Investigating the substrate specificity and oligomerisation of the leader protease of foot and mouth disease virus using NMR"  J. Mol. Biol. 373, 1071-1087 (2007).

Assembly members:
sLbpro, polymer, 167 residues, 19034.498 Da.

Natural source:   Common Name: not available   Taxonomy ID: 12110   Superkingdom: Viruses   Kingdom: not available   Genus/species: Aphthovirus Foot-and-mouth disease virus

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

Entity Sequences (FASTA):
sLbpro: MELTLYNGEKKTFYSRPNNH DNAWLNAILQLFRYVEEPFF DWVYSSPENLTLEAIKQLED LTGLELHEGGPPALVIWNIK HLLHTGIGTASRPSEVCVVD GTDMCLADFHAGIFLKGQEH AVFACVTSNGWYAIDDEDFY PWTPDPSDVLVFVPYDQEPL NGEWKAK

Data sets:
Data typeCount
13C chemical shifts474
15N chemical shifts150
1H chemical shifts150

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1sLbpro1

Entities:

Entity 1, sLbpro 167 residues - 19034.498 Da.

1   METGLULEUTHRLEUTYRASNGLYGLULYS
2   LYSTHRPHETYRSERARGPROASNASNHIS
3   ASPASNALATRPLEUASNALAILELEUGLN
4   LEUPHEARGTYRVALGLUGLUPROPHEPHE
5   ASPTRPVALTYRSERSERPROGLUASNLEU
6   THRLEUGLUALAILELYSGLNLEUGLUASP
7   LEUTHRGLYLEUGLULEUHISGLUGLYGLY
8   PROPROALALEUVALILETRPASNILELYS
9   HISLEULEUHISTHRGLYILEGLYTHRALA
10   SERARGPROSERGLUVALCYSVALVALASP
11   GLYTHRASPMETCYSLEUALAASPPHEHIS
12   ALAGLYILEPHELEULYSGLYGLNGLUHIS
13   ALAVALPHEALACYSVALTHRSERASNGLY
14   TRPTYRALAILEASPASPGLUASPPHETYR
15   PROTRPTHRPROASPPROSERASPVALLEU
16   VALPHEVALPROTYRASPGLNGLUPROLEU
17   ASNGLYGLUTRPLYSALALYS

Samples:

sample_1: sLbpro, [U-100% 13C; U-100% 15N], 1 mM; DTT 5 mM; sodium azide 10 mM; sodium phosphate 20 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_2: sLbpro, [U-100% 15N], 1 mM; DTT 5 mM; sodium azide 10 mM; sodium phosphate 20 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_3: sLbpro, [U-100% 15N], 1 mM; DTT 5 mM; sodium azide 10 mM; sodium phosphate 20 mM; sodium chloride 50 mM; Pf1 phage 17 mg/ml; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-15N IPAP-HSQCsample_1isotropicsample_conditions_1
2D 1H-15N IPAP-HSQCsample_1anisotropicsample_conditions_1

Software:

VNMR v6.1C, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

SPARKY, Goddard - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 800 MHz
  • Varian Direct Drive 600 MHz

Related Database Links:

BMRB 15277
PDB
EMBL CAA25416 CAC86575
GB AAT01757 AAT01758 AAT01759 AAT01760 AAT01761
PIR GNNYF
SP P03305

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts