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 19803

Title: NMR resonance assignment of the N-terminal polypeptide of the Anthrax Lethal Factor   PubMed: 24944022

Deposition date: 2014-02-18 Original release date: 2019-07-12

Authors: Vourtsis, Dionysios; Chasapis, Christos; Bentrop, Detlef; Spyroulias, Georgios

Citation: Vourtsis, Dionysios; Chasapis, Christos; Pairas, George; Bentrop, Detlef; Spyroulias, Georgios. "NMR conformational properties of an Anthrax Lethal Factor domain studied by multiple amino acid-selective labeling"  Biochem. Biophys. Res. Commun. 450, 335-340 (2014).

Assembly members:
Anthrax_Lethal_Factor_N-terminal, polymer, 235 residues, 27196.7 Da.

Natural source:   Common Name: Bacillus Anthracis   Taxonomy ID: 1392   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus Anthracis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-4T1

Entity Sequences (FASTA):
Anthrax_Lethal_Factor_N-terminal: GSRNKTQEEHLKEIMKHIVK IEVKGEEAVKKEAAEKLLEK VPSDVLEMYKAIGGKIYIVD GDITKHISLEALSEDKKKIK DIYGKDALLHEHYVYAKEGY EPVLVIQSSEDYVENTEKAL NVYYEIGKILSRDILSKINQ PYQKFLDVLNTIKNASDSDG QDLLFTNQLKEHPTDFSVEF LEQNSNEVQEVFAKAFAYYI EPQHRDVLQLYAPEAFNYMD KFNEQEINLSLEELK

Data sets:
Data typeCount
13C chemical shifts575
15N chemical shifts217
1H chemical shifts462

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Anthrax Lethal Factor N-terminal1

Entities:

Entity 1, Anthrax Lethal Factor N-terminal 235 residues - 27196.7 Da.

1   GLYSERARGASNLYSTHRGLNGLUGLUHIS
2   LEULYSGLUILEMETLYSHISILEVALLYS
3   ILEGLUVALLYSGLYGLUGLUALAVALLYS
4   LYSGLUALAALAGLULYSLEULEUGLULYS
5   VALPROSERASPVALLEUGLUMETTYRLYS
6   ALAILEGLYGLYLYSILETYRILEVALASP
7   GLYASPILETHRLYSHISILESERLEUGLU
8   ALALEUSERGLUASPLYSLYSLYSILELYS
9   ASPILETYRGLYLYSASPALALEULEUHIS
10   GLUHISTYRVALTYRALALYSGLUGLYTYR
11   GLUPROVALLEUVALILEGLNSERSERGLU
12   ASPTYRVALGLUASNTHRGLULYSALALEU
13   ASNVALTYRTYRGLUILEGLYLYSILELEU
14   SERARGASPILELEUSERLYSILEASNGLN
15   PROTYRGLNLYSPHELEUASPVALLEUASN
16   THRILELYSASNALASERASPSERASPGLY
17   GLNASPLEULEUPHETHRASNGLNLEULYS
18   GLUHISPROTHRASPPHESERVALGLUPHE
19   LEUGLUGLNASNSERASNGLUVALGLNGLU
20   VALPHEALALYSALAPHEALATYRTYRILE
21   GLUPROGLNHISARGASPVALLEUGLNLEU
22   TYRALAPROGLUALAPHEASNTYRMETASP
23   LYSPHEASNGLUGLNGLUILEASNLEUSER
24   LEUGLUGLULEULYS

Samples:

sample_1: Anthrax Lethal Factor N-terminal, [U-99% 15N], 0.3 mM; D2O 10%; H2O 90%; Pi 50 mM

sample_2: Anthrax Lethal Factor N-terminal, [U-98% 13C; U-98% 15N], 0.3 mM; D2O 10%; H2O 90%; Pi 50 mM

sample_4-8: Anthrax Lethal Factor N-terminal, [U-99% 15N], 0.3 mM; D2O 10%; H2O 90%; Pi 50 mM

sample_3: Anthrax Lethal Factor N-terminal, [U-100% 13C; U-100% 15N; U-80% 2H], 0.3 mM; D2O 10%; H2O 90%; Pi 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HN(CO)CAsample_3isotropicsample_conditions_1
3D HCACOsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_4-8isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance-III 700 MHz

Related Database Links:

EMBL P15917

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