BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18227

Title: Solution structure of AR55 in 50% HFIP   PubMed: 28492329

Deposition date: 2012-01-27 Original release date: 2013-01-14

Authors: Langelaan, David; Rainey, Jan

Citation: Langelaan, David; Pandey, Aditya; Sarker, Muzaddid; Rainey, Jan. "Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments"  J. Phys. Chem. Lett. 12, 2381-2386 (2017).

Assembly members:
AR55, polymer, 64 residues, 7298.1072 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):
AR55: MEEGGDFDNYYGADNQSECE YTDWKSSGALIPAIYMLVFL LGTTGNGLVLWTVFRKKGHH HHHH

Data typeCount
13C chemical shifts271
15N chemical shifts70
1H chemical shifts400

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AR551

Entities:

Entity 1, AR55 64 residues - 7298.1072 Da.

1   METGLUGLUGLYGLYASPPHEASPASNTYR
2   TYRGLYALAASPASNGLNSERGLUCYSGLU
3   TYRTHRASPTRPLYSSERSERGLYALALEU
4   ILEPROALAILETYRMETLEUVALPHELEU
5   LEUGLYTHRTHRGLYASNGLYLEUVALLEU
6   TRPTHRVALPHEARGLYSLYSGLYHISHIS
7   HISHISHISHIS

Samples:

sample_1: AR55, [U-99% 13C; U-99% 15N], 0.9 mM; hexafluoroisopropanol, [U-99% 2H], 50%; DSS 1 mM; DTT, [U-99% 2H], 5 mM; H2O 40%; D2O, [U-99% 2H], 10%

sample_conditions_1: temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC/HMQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
HNcaCO (H[N[ca[CO]]])sample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
HNcoCACB (H[N[co[{CA|ca[C]}]]])sample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
HSQC_NOESY_125ms_HSQC (h[C]_H[N].NOESY)sample_1isotropicsample_conditions_1
15NHSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

ANALYSIS v2.2, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance III 700 MHz

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