BMRB Entry 26044

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26044

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Title:
1HN, 13C, and 15N Resonance Assignments of the CDTb-Interacting Domain (CDTaBID) from the Clostridium difficile Binary Toxin Catalytic Component (CDTa, residues 1-216)
Deposition date:
2016-04-22
Original release date:
2016-10-14
Authors:
Roth, Braden; Weber, David; Varney, Kristen; Rustandi, Richard
Citation:

Citation: Roth, Braden; Varney, Kristen; Rustandi, Richard; Weber, David. "(1)H(N), (13)C, and (15)N resonance assignments of the CDTb-interacting domain (CDTaBID) from the Clostridium difficile binary toxin catalytic component (CDTa, residues 1-221)"  Biomol. NMR Assign. 10, 335-339 (2016).
PubMed: 27351891

Assembly members:

Assembly members:
D1_CDTa, polymer, 222 residues, 26318.8244 Da.

Natural source:

Natural source:   Common Name: Clostridium difficile   Taxonomy ID: 1496   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Clostridium difficile

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pKan-SUMO-nMSD1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
D1_CDTa: MVANTTYKAPIERPEDFLKD KEKAKEWERKEAERIEQKLE RSEKEALESYKKDSVEISKY SQTRNYFYDYQIEANSREKE YKELRNAISKNKIDKPMYVY YFESPEKFAFNKVIRTENQN EISLEKFNEFKETIQNKLFK QDGFKDISLYEPGKGDEKPT PLLMHLKLPRNTGMLPYTNT NNVSTLIEQGYSIKIDKIVR IVIDGKHYIKAEASVVSSLD FK

Data typeCount
13C chemical shifts642
15N chemical shifts201
1H chemical shifts201

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1D1 CDTa1

Entities:

Entity 1, D1 CDTa 222 residues - 26318.8244 Da.

1   METVALALAASNTHRTHRTYRLYSALAPRO
2   ILEGLUARGPROGLUASPPHELEULYSASP
3   LYSGLULYSALALYSGLUTRPGLUARGLYS
4   GLUALAGLUARGILEGLUGLNLYSLEUGLU
5   ARGSERGLULYSGLUALALEUGLUSERTYR
6   LYSLYSASPSERVALGLUILESERLYSTYR
7   SERGLNTHRARGASNTYRPHETYRASPTYR
8   GLNILEGLUALAASNSERARGGLULYSGLU
9   TYRLYSGLULEUARGASNALAILESERLYS
10   ASNLYSILEASPLYSPROMETTYRVALTYR
11   TYRPHEGLUSERPROGLULYSPHEALAPHE
12   ASNLYSVALILEARGTHRGLUASNGLNASN
13   GLUILESERLEUGLULYSPHEASNGLUPHE
14   LYSGLUTHRILEGLNASNLYSLEUPHELYS
15   GLNASPGLYPHELYSASPILESERLEUTYR
16   GLUPROGLYLYSGLYASPGLULYSPROTHR
17   PROLEULEUMETHISLEULYSLEUPROARG
18   ASNTHRGLYMETLEUPROTYRTHRASNTHR
19   ASNASNVALSERTHRLEUILEGLUGLNGLY
20   TYRSERILELYSILEASPLYSILEVALARG
21   ILEVALILEASPGLYLYSHISTYRILELYS
22   ALAGLUALASERVALVALSERSERLEUASP
23   PHELYS

Samples:

15N-nMSD1: D1_CDTa, [U-15N], 0.525 mM

2H13C15N-nMSD1: D1_CDTa, [U-15N], 0.41 mM

nMSD1: ionic strength: 0.025 M; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQC15N-nMSD1isotropicnMSD1
HNH (hNNH)15N-nMSD1isotropicnMSD1
3D 1H-15N NOESY15N-nMSD1isotropicnMSD1
3D HNCA2H13C15N-nMSD1isotropicnMSD1
3D HNCACB2H13C15N-nMSD1isotropicnMSD1
3D HNCO2H13C15N-nMSD1isotropicnMSD1
HNcaCO (HNcaCO)2H13C15N-nMSD1isotropicnMSD1
3D HN(CO)CA2H13C15N-nMSD1isotropicnMSD1
HNcocaCB (H[N[co[{CA|ca[C]}]]])2H13C15N-nMSD1isotropicnMSD1
HetNOE-3s15N-nMSD1isotropicnMSD1
HetNOE-4s15N-nMSD1isotropicnMSD1
HetNOE-5s15N-nMSD1isotropicnMSD1

Software:

CcpNmr_Analysis v2.4, CCPN - data analysis

NMR spectrometers:

  • Bruker Avance 950 MHz

Related Database Links:

UniProt Q9KH42
AlphaFold Q9KH42

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