BMRB Entry 34412

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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/BMR34412
MolProbity Validation Chart

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Title:
Winter flounder 3 in SDS micelles
Deposition date:
2019-06-12
Original release date:
2020-07-10
Authors:
Mason, A.; Clarke, M.
Citation:

Citation: Mason, A.; Clarke, M.. "Structure of winter flounder AMP 3"  .

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2631.112 Da.

Natural source:

Natural source:   Common Name: Winter flounder   Taxonomy ID: 8265   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Pseudopleuronectes americanus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FLGALIKGAIHGGRFIHGMI QNHH

Data sets:
Data typeCount
1H chemical shifts104

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 24 residues - 2631.112 Da.

1   PHELEUGLYALALEUILELYSGLYALAILE
2   HISGLYGLYARGPHEILEHISGLYMETILE
3   GLNASNHISHIS

Samples:

sample_1: Peptide 0.5 mM; SDS, [U-98% Dodecyl-d25 sulfate sodium salt, SDS-d25], 50 mM; TSP 0.005 % w/w

sample_conditions_1: ionic strength: 0.5 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

DYNAMO, Delaglio and Kuszewski - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE 600 MHz