BMRB Entry 34806

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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/BMR34806
MolProbity Validation Chart

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Title:
Solution NMR structure of Notch1 L1740-1743 TMD
Deposition date:
2023-04-17
Original release date:
2023-08-09
Authors:
Guschtschin-Schmidt, N.; Muhle-Goll, C.
Citation:

Citation: Ortner, M.; Guschtschin-Schmidt, N.; Stelzer, W.; Muhle-Goll, C.; Langosch, D.. "Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase"  J. Mol. Biol. 435, 168218-168218 (2023).
PubMed: 37536392

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3533.573 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KKKLHFMYVLLLLFVLLFFV GCGVLLSKKK

Data sets:
Data typeCount
13C chemical shifts112
15N chemical shifts29
1H chemical shifts219

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 30 residues - 3533.573 Da.

1   LYSLYSLYSLEUHISPHEMETTYRVALLEU
2   LEULEULEUPHEVALLEULEUPHEPHEVAL
3   GLYCYSGLYVALLEULEUSERLYSLYSLYS

Samples:

sample_1: Notch1 L1740-1743 TMD 500 uM

sample_conditions_1: pH: 6.5; pressure: 1 bar; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis v2.4.2, Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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