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 30350

Title: Solution NMR Structure of Unbound P18-I10   PubMed: 29988068

Deposition date: 2017-10-10 Original release date: 2018-07-19

Authors: Flores-Solis, D.; McShan, A.; Sgourakis, N.

Citation: McShan, A.; Natarajan, K.; Flores-Solis, D.; Kumirov, V.; Jiang, J.; Badstubner, M.; Marguiles, D.; Sgourakis, N.. "Peptide exchange on MHC-I by TAPBPR is driven by negative allosteric release cycle."  Nat. Chem. Biol. 14, 811-820 (2018).

Assembly members:
entity_1, polymer, 10 residues, 1075.265 Da.

Natural source:   Common Name: HIV-1   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus HIV-1

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

Entity Sequences (FASTA):
entity_1: RGPGRAFVTI

Data typeCount
13C chemical shifts30
15N chemical shifts8
1H chemical shifts35

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 10 residues - 1075.265 Da.

1   ARGGLYPROGLYARGALAPHEVALTHRILE

Samples:

sample_1: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE 1.0 ± 0.1 mM

sample_2: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, [U-99% 13C; U-99% 15N], 1.00 ± 0.1 mM

sample_conditions_1: ionic strength: 0.05 mM; pH: 7.2; pressure: 1 atm; temperature: 277 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 800 MHz
  • Varian INOVA 600 MHz

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