BMRB Entry 6613

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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/BMR6613
MolProbity Validation Chart

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Title:
Structure and dynamics of coxsackievirus B4 2A proteinase, an enzyme involved in the aetiology of heart disease
Deposition date:
2005-04-28
Original release date:
2006-04-10
Authors:
Baxter, N.; Roetzer, A.; Liebig, H.; Sedelnikova, S.; Hounslow, A.; Skern, T.; Waltho, J.
Citation:

Citation: Baxter, N.; Roetzer, A.; Liebig, H.; Sedelnikova, S.; Hounslow, A.; Skern, T.; Waltho, J.. "Structure and dynamics of coxsackievirus B4 2A proteinase, an enzyme involved in the etiology of heart disease "  J. Virol. 80, 1451-1462 (2006).
PubMed: 16415022

Assembly members:

Assembly members:
2A proteinase, polymer, 166 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Human enterovirus B   Taxonomy ID: 138949   Superkingdom: Viruses   Kingdom: not available   Genus/species: Enterovirus Coxsackievirus B4

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
2A proteinase: MAHHHHHHERASLITTGPYG HQSGAVYVGNYKVVNRHLAT HVDWQNCVWEDYNRDLLVST TTAHGCDTIARCQCTTGVYF CASKSKHYPVSFEGPGLVEV QESEYYPKRYQSHVLLATGF SEPGDAGGILRCEHGVIGLV TMGGEGVVGFADVRDLLWLE DDAMEQ

Data sets:
Data typeCount
1H chemical shifts848
13C chemical shifts573
15N chemical shifts125

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
12A proteinase1
2ZINC (II) ION2

Entities:

Entity 1, 2A proteinase 166 residues - Formula weight is not available

1   METALAHISHISHISHISHISHISGLUARG
2   ALASERLEUILETHRTHRGLYPROTYRGLY
3   HISGLNSERGLYALAVALTYRVALGLYASN
4   TYRLYSVALVALASNARGHISLEUALATHR
5   HISVALASPTRPGLNASNCYSVALTRPGLU
6   ASPTYRASNARGASPLEULEUVALSERTHR
7   THRTHRALAHISGLYCYSASPTHRILEALA
8   ARGCYSGLNCYSTHRTHRGLYVALTYRPHE
9   CYSALASERLYSSERLYSHISTYRPROVAL
10   SERPHEGLUGLYPROGLYLEUVALGLUVAL
11   GLNGLUSERGLUTYRTYRPROLYSARGTYR
12   GLNSERHISVALLEULEUALATHRGLYPHE
13   SERGLUPROGLYASPALAGLYGLYILELEU
14   ARGCYSGLUHISGLYVALILEGLYLEUVAL
15   THRMETGLYGLYGLUGLYVALVALGLYPHE
16   ALAASPVALARGASPLEULEUTRPLEUGLU
17   ASPASPALAMETGLUGLN

Entity 2, ZINC (II) ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: 2A proteinase, [U-15N], 0.25 mM; potassium phosphate 50 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_2: 2A proteinase, [U-13C; U-15N], 0.25 mM; potassium phosphate 50 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_3: 2A proteinase, [U-13C; U-15N], 0.50 mM; potassium phosphate 50 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_4: 2A proteinase, [U-13C; U-15N], 0.25 mM; potassium phosphate 50 mM; DTT 10 mM; D2O 100%

sample_cond_1: pH: 7.6; temperature: 303 K; ionic strength: 50 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
simultaneously acquired 15N- and 13C-edited 3D NOESYnot availablenot availablesample_cond_1

Software:

XWINNMR v3.5 - collection

FELIX v2000 - processing, data analysis

CNS v1.1 - structure solution, refinement

NMR spectrometers:

  • Bruker DRX 500 MHz

Related Database Links:

GenBank ABF19105
SWISS-PROT P08292
PDB
EMBL CAA29172

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
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