BMRB Entry 53818

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53818

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
MucRCTD 3A3T-DNA complex chemical shifts
Deposition date:
2026-05-24
Original release date:
2026-08-04
Authors:
Qi, Miaomiao; Duan, Bo; Xia, Bin
Citation:

Citation: Qi, Miaomiao; Duan, Bo; Xia, Bin. "1H, 13C, and 15N resonance assignments of the DNA binding domain of MucR from Brucella abortus in complex with DNA "  Appl. Magn. Reson. ., .-. (2026).

Assembly members:

Assembly members:
entity_1, polymer, 83 residues, 9841.3 Da.
entity_2, polymer, 12 residues, 3645.4 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Brucella abortus   Taxonomy ID: 235   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Brucella abortus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEKPKPAVNPKKSVHDDYIV CLEDGKKFKSLKRHLVTHYN MTPEQYREKWDLDPNYPMVA PNYAAARSRLAKKMGLEHHH HHH
entity_2: CGCAAATTTGCG

Data sets:
Data typeCount
13C chemical shifts493
15N chemical shifts88
1H chemical shifts829

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MucRCTD1
23A3T-DNA, chain 12
33A3T-DNA, chain 22
4zinc ion3

Entities:

Entity 1, MucRCTD 83 residues - 9841.3 Da.

The N-terminal methionine and C-terminal 6xHis tag are present in the sample but were not assigned in the NMR spectrum.

1   METGLULYSPROLYSPROALAVALASNPRO
2   LYSLYSSERVALHISASPASPTYRILEVAL
3   CYSLEUGLUASPGLYLYSLYSPHELYSSER
4   LEULYSARGHISLEUVALTHRHISTYRASN
5   METTHRPROGLUGLNTYRARGGLULYSTRP
6   ASPLEUASPPROASNTYRPROMETVALALA
7   PROASNTYRALAALAALAARGSERARGLEU
8   ALALYSLYSMETGLYLEUGLUHISHISHIS
9   HISHISHIS

Entity 2, 3A3T-DNA, chain 1 12 residues - 3645.4 Da.

1   DCDGDCDADADADTDTDTDG
2   DCDG

Entity 3, zinc ion - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: MucRCTD, [U-99% 13C; U-99% 15N], 0.3 mM; 3A3T-DNA, chain 1 3 mM; 3A3T-DNA, chain 2 3 mM; NaH2PO4 50 mM; NaCl 50 mM; ZnSO4 10 mM

sample_conditions_1: ionic strength: 0.13 M; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D (H)CCH-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

NMRView - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 950 MHz

Related Database Links:

UNP Q2YMR3

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