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 27577

Title: Resonance assignments for Ras-related C3 botulinum toxin substrate 1 bound to GDP and Mg2+

Deposition date: 2018-08-13 Original release date: 2019-03-14

Authors: Toyama, Yuki; Kontani, Kenji; Katada, Toshiaki; Shimada, Ichio

Citation: Toyama, Yuki; Kontani, Kenji; Katada, Toshiaki; Shimada, Ichio. "Conformational landscape alternations promote oncogenic activities of Ras-related C3 botulinum toxin substrate 1 as revealed by NMR"  Sci. Adv. 5, 8945-8945 (2019).

Assembly members:
Ras-related_C3_botulinum_toxin_substrate_1, polymer, 192 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_GDP, non-polymer, 443.201 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
Ras-related_C3_botulinum_toxin_substrate_1: GPLGSPEFMQAIKCVVVGDG AVGKTCLLISYTTNAFPGEY IPTVFDNYSANVMVDGKPVN LGLWDTAGQEDYDRLRPLSY PQTDVFLICFSLVSPASFEN VRAKWYPEVRHHCPNTPIIL VGTKLDLRDDKDTIEKLKEK KLTPITYPQGLAMAKEIGAV KYLECSALTQRGLKTVFDEA IRAVLCPPPVKK

Data sets:
Data typeCount
13C chemical shifts540
15N chemical shifts153
1H chemical shifts390

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rac11
2Mg2
3GDP3

Entities:

Entity 1, Rac1 192 residues - Formula weight is not available

Residues 1-8 represent a cloning artifact.

1   GLYPROLEUGLYSERPROGLUPHEMETGLN
2   ALAILELYSCYSVALVALVALGLYASPGLY
3   ALAVALGLYLYSTHRCYSLEULEUILESER
4   TYRTHRTHRASNALAPHEPROGLYGLUTYR
5   ILEPROTHRVALPHEASPASNTYRSERALA
6   ASNVALMETVALASPGLYLYSPROVALASN
7   LEUGLYLEUTRPASPTHRALAGLYGLNGLU
8   ASPTYRASPARGLEUARGPROLEUSERTYR
9   PROGLNTHRASPVALPHELEUILECYSPHE
10   SERLEUVALSERPROALASERPHEGLUASN
11   VALARGALALYSTRPTYRPROGLUVALARG
12   HISHISCYSPROASNTHRPROILEILELEU
13   VALGLYTHRLYSLEUASPLEUARGASPASP
14   LYSASPTHRILEGLULYSLEULYSGLULYS
15   LYSLEUTHRPROILETHRTYRPROGLNGLY
16   LEUALAMETALALYSGLUILEGLYALAVAL
17   LYSTYRLEUGLUCYSSERALALEUTHRGLN
18   ARGGLYLEULYSTHRVALPHEASPGLUALA
19   ILEARGALAVALLEUCYSPROPROPROVAL
20   LYSLYS

Entity 2, Mg - Mg - 24.305 Da.

1   MG

Entity 3, GDP - C10 H15 N5 O11 P2 - 443.201 Da.

1   GDP

Samples:

sample_1: Ras-related C3 botulinum toxin substrate 1, {U-2H 13C, 15N, Iled1-[13CH3], Leu, Val-[13CH3, 12C2H3]}, 0.5 mM; GUANOSINE-5'-DIPHOSPHATE 0.5 mM; MAGNESIUM ION 5 mM; DTT 5 mM; HEPES 20 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HMCMCBCACOsample_1isotropicsample_conditions_1
3D HMCMCBCAsample_1isotropicsample_conditions_1
3D HMCMCBCANHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

UNP P63000

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