BMRB Entry 19847

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19847
MolProbity Validation Chart

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Title:
solution structure of alpha amylase inhibitor peptide aS1 from Allatide scholaris
Deposition date:
2014-03-10
Original release date:
2014-11-13
Authors:
Wang, Shujing; Nguyen, Quoc Thuc Phuong; Tam, James P.
Citation:

Citation: Wang, Shujing; Nguyen, Quoc Thuc Phuong; Tam, James P.. "solution structure of alpha-amylase inhibitor peptide aS1 from Allatide scholaris"  .

Assembly members:

Assembly members:
entity, polymer, 30 residues, 3376.976 Da.

Natural source:

Natural source:   Common Name: Milky Pine   Taxonomy ID: 52822   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Alstonia scholaris

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: CRPYGYRCDGVINQCCDPYH CTPPLIGICL

Data sets:
Data typeCount
1H chemical shifts187

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 30 residues - 3376.976 Da.

1   CYSARGPROTYRGLYTYRARGCYSASPGLY
2   VALILEASNGLNCYSCYSASPPROTYRHIS
3   CYSTHRPROPROLEUILEGLYILECYSLEU

Samples:

sample_1: aS1 1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0 M; pH: 3.2; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRspy, Zheng Yu, Xu Yingqi and Yang Daiwen - chemical shift assignment

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

Molmol, Koradi, Billeter and Wuthrich - geometry optimization

ProcheckNMR, Laskowski and MacArthur - geometry optimization

NMR spectrometers:

  • Bruker Avance 600 MHz