BMRB Entry 34509

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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/BMR34509
MolProbity Validation Chart

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Title:
Solution NMR Structure of APP TMD V44M mutant
Deposition date:
2020-03-30
Original release date:
2020-12-04
Authors:
Silber, M.; Muhle-Goll, C.
Citation:

Citation: Silber, M.; Hitzenberger, M.; Zacharias, M.; Muhle-Goll, C.. "Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-secretase"  ACS Chem. Neurosci. 11, 4426-4433 (2020).
PubMed: 33232115

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3102.990 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: SNKGAIIGLMVGGVVIATMI VITLVMLKKK

Data sets:
Data typeCount
13C chemical shifts106
15N chemical shifts29
1H chemical shifts231

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 - 3102.990 Da.

1   SERASNLYSGLYALAILEILEGLYLEUMET
2   VALGLYGLYVALVALILEALATHRMETILE
3   VALILETHRLEUVALMETLEULYSLYSLYS

Samples:

sample_1: APP V44M 500 uM

sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H-NOESYsample_1isotropicsample_conditions_1

Software:

CNS v1.2.1, Brunger A. T. et.al. - refinement

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

CcpNmr Analysis v2.4.2, CCPN, 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 CP TCI 600 MHz

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