BMRB Entry 50870

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50870

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Title:
NUDT9 - ADPR complex
Deposition date:
2021-04-02
Original release date:
2021-07-14
Authors:
Gattkowski, Ellen; Rutherford, Trevor; Moeckl, Franziska; Sander, Simon; Fliegert, Ralf; Tidow, Henning
Citation:

Citation: Gattkowski, Ellen; Rutherford, Trevor; Moeckl, Franziska; Sander, Simon; Fliegert, Ralf; Tidow, Henning. "Analysis of ligand binding and resulting conformational changes in pyrophosphatase NUDT9"  FEBS J. 288, 6769-6782 (2021).
PubMed: 34189846

Assembly members:

Assembly members:
entity_1, polymer, 288 residues, Formula weight is not available
entity_APR, non-polymer, 559.316 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET51b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MENSHNKARTSPYPGSKVER SQVPNEKVGWLVEWQDYKPV EYTAVSVLAGPRWADPQISE SNFSPKFNEKDGHVERKSKN GLYEIENGRPRNPAGRTGLV GRGLLGRWGPNHAADPIITR WKRDSSGNKIMHPVSGKHIL QFVAIKRKDCGEWAIPGGMV DPGEKISATLKRILGEEALN SLQKTSAEKREIEEKLHKLF SQDHLVIYKGYVDDPRNTDN AWMETEAVNYHDETGEIMDN LMLEAGDDAGKVKWVDINDK LKLYASHSQFIKLVAEKRDA HWENLYFQ

Data sets:
Data typeCount
13C chemical shifts747
15N chemical shifts231
1H chemical shifts231

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NUDT91
2ADPR2

Entities:

Entity 1, NUDT9 288 residues - Formula weight is not available

1   METGLUASNSERHISASNLYSALAARGTHR
2   SERPROTYRPROGLYSERLYSVALGLUARG
3   SERGLNVALPROASNGLULYSVALGLYTRP
4   LEUVALGLUTRPGLNASPTYRLYSPROVAL
5   GLUTYRTHRALAVALSERVALLEUALAGLY
6   PROARGTRPALAASPPROGLNILESERGLU
7   SERASNPHESERPROLYSPHEASNGLULYS
8   ASPGLYHISVALGLUARGLYSSERLYSASN
9   GLYLEUTYRGLUILEGLUASNGLYARGPRO
10   ARGASNPROALAGLYARGTHRGLYLEUVAL
11   GLYARGGLYLEULEUGLYARGTRPGLYPRO
12   ASNHISALAALAASPPROILEILETHRARG
13   TRPLYSARGASPSERSERGLYASNLYSILE
14   METHISPROVALSERGLYLYSHISILELEU
15   GLNPHEVALALAILELYSARGLYSASPCYS
16   GLYGLUTRPALAILEPROGLYGLYMETVAL
17   ASPPROGLYGLULYSILESERALATHRLEU
18   LYSARGILELEUGLYGLUGLUALALEUASN
19   SERLEUGLNLYSTHRSERALAGLULYSARG
20   GLUILEGLUGLULYSLEUHISLYSLEUPHE
21   SERGLNASPHISLEUVALILETYRLYSGLY
22   TYRVALASPASPPROARGASNTHRASPASN
23   ALATRPMETGLUTHRGLUALAVALASNTYR
24   HISASPGLUTHRGLYGLUILEMETASPASN
25   LEUMETLEUGLUALAGLYASPASPALAGLY
26   LYSVALLYSTRPVALASPILEASNASPLYS
27   LEULYSLEUTYRALASERHISSERGLNPHE
28   ILELYSLEUVALALAGLULYSARGASPALA
29   HISTRPGLUASNLEUTYRPHEGLN

Entity 2, ADPR - C15 H23 N5 O14 P2 - 559.316 Da.

1   APR

Samples:

sample_1: NUDT9, [U-13C; U-15N; U-2H], 233 uM; ADP ribose 1 mM; D2O, [U-99% 2H], 5%; HEPES 20 mM; sodium chloride 150 mM; calcium chloride 5 mM

sample_conditions_1: ionic strength: 174 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N BEST-TROSYsample_1isotropicsample_conditions_1
3D trHNCACOsample_1isotropicsample_conditions_1
3D trHNCAsample_1isotropicsample_conditions_1
3D trHNCACBsample_1isotropicsample_conditions_1
3D trHNCOsample_1isotropicsample_conditions_1
3D trHN(COCA)CBsample_1isotropicsample_conditions_1
3D trHN(CO)CAsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.6.0 - collection

TOPSPIN v3.2 - processing

NMRFAM-SPARKY v1.3 - peak picking

MARS v1.1 - chemical shift assignment

NMR spectrometers:

  • Bruker Avance II+ 700 MHz

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