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 50761

Title: ARNT PAS-B WT sequence, unfolded in 8M urea

Deposition date: 2021-02-12 Original release date: 2021-03-10

Authors: Xu, Xingjian; Dikiy, Igor; Evans, Matthew; Marcelino, Leandro; Gardner, Kevin

Citation: Xu, Xingjian; Dikiy, Igor; Evans, Matthew; Marcelino, Leandro; Gardner, Kevin. "Fragile protein folds: sequence and environmental factors affecting the equilibrium of two interconverting, stably folded protein conformations"  Magn. Reson. 2, 63-76 (2021).

Assembly members:
ARNT PAS-B WT urea unfolded, polymer, 119 residues, 13942.74 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   Vector: pHis-parallel

Entity Sequences (FASTA):
ARNT PAS-B WT urea unfolded: GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSFTFQNPYS DEIEYIICTNTNVKNSSQE

Data sets:
Data typeCount
13C chemical shifts341
15N chemical shifts110
1H chemical shifts109

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ARNT PAS-B WT urea unfolded1

Entities:

Entity 1, ARNT PAS-B WT urea unfolded 119 residues - 13942.74 Da.

N-terminal 4 residues (GAMD) are vector-derived; remaining sequence is residues 356-470 from human ARNT protein.

1   GLYALAMETASPASNVALCYSGLNPROTHR
2   GLUPHEILESERARGHISASNILEGLUGLY
3   ILEPHETHRPHEVALASPHISARGCYSVAL
4   ALATHRVALGLYTYRGLNPROGLNGLULEU
5   LEUGLYLYSASNILEVALGLUPHECYSHIS
6   PROGLUASPGLNGLNLEULEUARGASPSER
7   PHEGLNGLNVALVALLYSLEULYSGLYGLN
8   VALLEUSERVALMETPHEARGPHEARGSER
9   LYSASNGLNGLUTRPLEUTRPMETARGTHR
10   SERSERPHETHRPHEGLNASNPROTYRSER
11   ASPGLUILEGLUTYRILEILECYSTHRASN
12   THRASNVALLYSASNSERSERGLNGLU

Samples:

sample_1: ARNT PAS-B WT, [U-99% 13C; U-99% 15N], 500 uM; urea 8 M; TRIS 50 mM; sodium chloride 20 mM; beta-mercaptoethanol 5 mM

sample_conditions_1: pH: 7.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

NMRViewJ - chemical shift assignment

NMRPipe - processing

VNMRj - collection

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

UNP P27540

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