BMRB Entry 30350

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30350
MolProbity Validation Chart

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Title:
Solution NMR Structure of Unbound P18-I10
Deposition date:
2017-10-10
Original release date:
2018-07-19
Authors:
Flores-Solis, D.; McShan, A.; Sgourakis, N.
Citation:

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).
PubMed: 29988068

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3a

Entity Sequences (FASTA):

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