BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27349

Title: 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile   PubMed: 30370502

Deposition date: 2017-12-26 Original release date: 2019-01-10

Authors: Zhang, Yonghong; Aguilar, Faith

Citation: Aguilar, Faith; Banaei, Niaz; Zhang, Yonghong. "1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile"  Biomol. NMR Assignments 13, 91-95 (2019).

Assembly members:
C_difficile_IF1, polymer, 83 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
C_difficile_IF1: MASMAKKDVIELEGTVSEAL PNAMFKVKLENGHEILCHIS GKLRMNFIRILEGDKVNVEL SPYDLTRGRITWRKKLEHHH HHH

Data sets:
Data typeCount
13C chemical shifts300
15N chemical shifts74
1H chemical shifts483

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1C. difficile IF11

Entities:

Entity 1, C. difficile IF1 83 residues - Formula weight is not available

Residues- MAS at the very beginning and Residues-LEHHHHHH at the end represent non-native residues because of subcloning and affinity tag.

1   METALASERMETALALYSLYSASPVALILE
2   GLULEUGLUGLYTHRVALSERGLUALALEU
3   PROASNALAMETPHELYSVALLYSLEUGLU
4   ASNGLYHISGLUILELEUCYSHISILESER
5   GLYLYSLEUARGMETASNPHEILEARGILE
6   LEUGLUGLYASPLYSVALASNVALGLULEU
7   SERPROTYRASPLEUTHRARGGLYARGILE
8   THRTRPARGLYSLYSLEUGLUHISHISHIS
9   HISHISHIS

Samples:

sample_1: C. difficile IF1, [U-99% 15N], 1 mM

sample_2: C. difficile IF1, [U-99% 13C; U-99% 15N], 1 mM

sample_3: C. difficile IF1, [U-99% 13C; U-99% 15N], 1 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 5.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker AMX 600 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz

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