BMRB Entry 20115

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR20115
MolProbity Validation Chart

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Title:
Substance P 40 structures in water pH 5.5 298 K NMR DATA & STRUCTURES
Deposition date:
2009-12-31
Original release date:
2010-10-27
Authors:
Gayen, Anindita; Mukhopadhyay, Chaitali
Citation:

Citation: Gayen, Anindita; Goswami, Sudipto Kishore; Mukhopadhyay, Chaitali. "NMR evidence of GM1-induced conformational change of Substance P using isotropic bicelles."  Biochim. Biophys. Acta 1808, 127-139 (2011).
PubMed: 20937248

Assembly members:

Assembly members:
Substance_P, polymer, 11 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Substance_P: RPKPQQFFGLM

Data sets:
Data typeCount
1H chemical shifts88

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Substance P1

Entities:

Entity 1, Substance P 11 residues - Formula weight is not available

1   ARGPROLYSPROGLNGLNPHEPHEGLYLEU
2   MET

Samples:

sample_1: Substance P 3.7 mM

sample_conditions_1: pH: 5.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Charles Schwieters - refinement, structure solution

NMR spectrometers:

  • Bruker DRX 500 MHz