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 51509

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51509

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for engineered protein ASC3X   PubMed: 36116550

Deposition date: 2022-06-29 Original release date: 2022-10-31

Authors: Diaz-parga, Pedro; Gould, Andrea; de Alba Bastarrechea, Eva

Citation: Diaz-parga, Pedro; Gould, Andrea; de Alba Bastarrechea, Eva. "Natural and engineered inflammasome adaptor proteins reveal optimum linker length for self-assembly"  J. Biol. Chem. 298, 102501-102501 (2022).

Assembly members:
entity_1, polymer, 261 residues, Formula weight is not available
entity_2, polymer, 215 residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: PET-15b

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MGRARDAILDALENLTAEEL KKFKLKLLSVPLREGYGRIP RGALLSMDALDLTDKLVSFY LETYGAELTANVLRDMGLQE MAGQLQAATHQGSGAAPAGI QAPPQSAAKPGLHQGSGAAP AGIQAPPQSAAKPGLHQGSG AAPAGIQAPPQSAAKPGLHF IDQHRAALIARVTNVEWLLD ALYGKVLTDEQYQAVRAEPT NPSKMRKLFSFTPAWNWTCK DLLLQALRESQSYLVEDLER S
entity_2: MGSSHHHHHHSSGLVPRGSH MGRARDAILDALENLTAEEL KKFKLKLLSVPLREGYGRIP RGALLSMDALDLTDKLVSFY LETYGAELTANVLRDMGLQE MAGQLQAATHQGSGAAPAGI QAPPQSAAKPGLHFIDQHRA ALIARVTNVEWLLDALYGKV LTDEQYQAVRAEPTNPSKMR KLFSFTPAWNWTCKDLLLQA LRESQSYLVEDLERS

Data sets:
Data typeCount
13C chemical shifts321
15N chemical shifts171
1H chemical shifts171

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ASC3X1
2ASC2

Entities:

Entity 1, ASC3X 261 residues - Formula weight is not available

Residues 1-20 contain a His-tag and a thrombin cleavage site. ASC3X starts at residue 21 (M) it id designated M1 in the NMR file.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLYARGALAARGASPALAILELEUASP
4   ALALEUGLUASNLEUTHRALAGLUGLULEU
5   LYSLYSPHELYSLEULYSLEULEUSERVAL
6   PROLEUARGGLUGLYTYRGLYARGILEPRO
7   ARGGLYALALEULEUSERMETASPALALEU
8   ASPLEUTHRASPLYSLEUVALSERPHETYR
9   LEUGLUTHRTYRGLYALAGLULEUTHRALA
10   ASNVALLEUARGASPMETGLYLEUGLNGLU
11   METALAGLYGLNLEUGLNALAALATHRHIS
12   GLNGLYSERGLYALAALAPROALAGLYILE
13   GLNALAPROPROGLNSERALAALALYSPRO
14   GLYLEUHISGLNGLYSERGLYALAALAPRO
15   ALAGLYILEGLNALAPROPROGLNSERALA
16   ALALYSPROGLYLEUHISGLNGLYSERGLY
17   ALAALAPROALAGLYILEGLNALAPROPRO
18   GLNSERALAALALYSPROGLYLEUHISPHE
19   ILEASPGLNHISARGALAALALEUILEALA
20   ARGVALTHRASNVALGLUTRPLEULEUASP
21   ALALEUTYRGLYLYSVALLEUTHRASPGLU
22   GLNTYRGLNALAVALARGALAGLUPROTHR
23   ASNPROSERLYSMETARGLYSLEUPHESER
24   PHETHRPROALATRPASNTRPTHRCYSLYS
25   ASPLEULEULEUGLNALALEUARGGLUSER
26   GLNSERTYRLEUVALGLUASPLEUGLUARG
27   SER

Entity 2, ASC 215 residues - Formula weight is not available

Residues 1-20 contain a His-tag and a thrombin cleavage site. ASC starts at residue 21 (M) it id designated M1 in the NMR file.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLYARGALAARGASPALAILELEUASP
4   ALALEUGLUASNLEUTHRALAGLUGLULEU
5   LYSLYSPHELYSLEULYSLEULEUSERVAL
6   PROLEUARGGLUGLYTYRGLYARGILEPRO
7   ARGGLYALALEULEUSERMETASPALALEU
8   ASPLEUTHRASPLYSLEUVALSERPHETYR
9   LEUGLUTHRTYRGLYALAGLULEUTHRALA
10   ASNVALLEUARGASPMETGLYLEUGLNGLU
11   METALAGLYGLNLEUGLNALAALATHRHIS
12   GLNGLYSERGLYALAALAPROALAGLYILE
13   GLNALAPROPROGLNSERALAALALYSPRO
14   GLYLEUHISPHEILEASPGLNHISARGALA
15   ALALEUILEALAARGVALTHRASNVALGLU
16   TRPLEULEUASPALALEUTYRGLYLYSVAL
17   LEUTHRASPGLUGLNTYRGLNALAVALARG
18   ALAGLUPROTHRASNPROSERLYSMETARG
19   LYSLEUPHESERPHETHRPROALATRPASN
20   TRPTHRCYSLYSASPLEULEULEUGLNALA
21   LEUARGGLUSERGLNSERTYRLEUVALGLU
22   ASPLEUGLUARGSER

Samples:

sample_1: ASC3X, [U-99% 13C; U-99% 15N], 0.2 mM; glycine 20 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 0 M; pH: 3.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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