BMRB Entry 53755

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53755

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Title:
Chemical shift assignments for the T6SS immunity protein SciX from Salmonella Typhimurium
Deposition date:
2026-05-04
Original release date:
2026-09-27
Authors:
Lorente Cobo, Neil; Prehna, Gerd
Citation:

Citation: Lorente Cobo, Neil; Goyal, Shubham; Davidson, David; Prehna, Gerd. "Molecular characterization of the orphan toxin-immunity pair Rhs2-SciX from Salmonella Typhimurium "  J. Mol. Biol. ., .-. (2026).
PubMed: 42778060

Assembly members:

Assembly members:
entity_1, polymer, 153 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Salmonella typhimurium   Taxonomy ID: 28901   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPLGSMLNSNMSELRIELEN AIKNLGIHDYRVDKPEQIVS EIKEIYVNGNPRTWWLSLKH RQYVFSYTDNSGYKNISQIV SKQLNESNVINKHIFLIADE DNEQIYVYNVPLNSLPEIIE NCRYFEYYVADHELSWLICE NDHGDLIVCSTIK

Data sets:
Data typeCount
13C chemical shifts423
15N chemical shifts133
1H chemical shifts664

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SciX1

Entities:

Entity 1, SciX 153 residues - Formula weight is not available

1   GLYPROLEUGLYSERMETLEUASNSERASN
2   METSERGLULEUARGILEGLULEUGLUASN
3   ALAILELYSASNLEUGLYILEHISASPTYR
4   ARGVALASPLYSPROGLUGLNILEVALSER
5   GLUILELYSGLUILETYRVALASNGLYASN
6   PROARGTHRTRPTRPLEUSERLEULYSHIS
7   ARGGLNTYRVALPHESERTYRTHRASPASN
8   SERGLYTYRLYSASNILESERGLNILEVAL
9   SERLYSGLNLEUASNGLUSERASNVALILE
10   ASNLYSHISILEPHELEUILEALAASPGLU
11   ASPASNGLUGLNILETYRVALTYRASNVAL
12   PROLEUASNSERLEUPROGLUILEILEGLU
13   ASNCYSARGTYRPHEGLUTYRTYRVALALA
14   ASPHISGLULEUSERTRPLEUILECYSGLU
15   ASNASPHISGLYASPLEUILEVALCYSSER
16   THRILELYS

Samples:

sample_1: SciX, [U-99% 13C; U-99% 15N], 0.5 mM; Sodium citrate 50 mM; sodium chloride 250 mM

sample_conditions_1: ionic strength: 0.25 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker Bruker AV700 spectrometer 700 MHz

Related Database Links:

UNP Q93IQ9
AlphaFold Q93IQ9

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