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 50443

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50443

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Title: 1H, 13C, and 15N resonance assignments of reduced apo-WhiB4 from Mycobacterium tuberculosis   PubMed: 33389547

Deposition date: 2020-08-25 Original release date: 2021-04-16

Authors: Zhai, Qiran; Xia, Bin

Citation: Zhai, Qiran; Lin, Chen; Duan, Bo; Liu, Jun; Zhang, Lu; Xia, Bin. "1H, 13C, and 15N resonance assignments of reduced apo-WhiB4 from Mycobacterium tuberculosis"  Biomol. NMR Assignments 15, 99-101 (2021).

Assembly members:
entity_1, polymer, 118 residues, Formula weight is not available

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

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

Entity Sequences (FASTA):
entity_1: MSGTRPAARRTNLTAAQNVV RSVDAEERIAWVSKALCRTT DPDELFVRGAAQRKAAVICR HCPVMQECAADALDNKVEFG VWGGMTERQRRALLKQHPEV VSWSDYLEKRKRRTGTAG

Data sets:
Data typeCount
13C chemical shifts484
15N chemical shifts119
1H chemical shifts781

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1reduced apo-WhiB41

Entities:

Entity 1, reduced apo-WhiB4 118 residues - Formula weight is not available

1   METSERGLYTHRARGPROALAALAARGARG
2   THRASNLEUTHRALAALAGLNASNVALVAL
3   ARGSERVALASPALAGLUGLUARGILEALA
4   TRPVALSERLYSALALEUCYSARGTHRTHR
5   ASPPROASPGLULEUPHEVALARGGLYALA
6   ALAGLNARGLYSALAALAVALILECYSARG
7   HISCYSPROVALMETGLNGLUCYSALAALA
8   ASPALALEUASPASNLYSVALGLUPHEGLY
9   VALTRPGLYGLYMETTHRGLUARGGLNARG
10   ARGALALEULEULYSGLNHISPROGLUVAL
11   VALSERTRPSERASPTYRLEUGLULYSARG
12   LYSARGARGTHRGLYTHRALAGLY

Samples:

sample_1: reduced apo-WhiB4, [U-13C; U-15N], 0.4 mM; Tris-HCl buffer 50 mM; NaCl 50 mM; DTT 20 mM; NaN3 0.03%; DSS 0.01%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe - chemical shift assignment

NMRDraw - chemical shift assignment

NMRView - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 700 MHz MHz
  • Bruker Avance 950 MHz MHz

Related Database Links:

UNP P9WF39
AlphaFold Q7D530

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