BMRB Entry 5672

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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/BMR5672
MolProbity Validation Chart

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Title:
Automatic assignment of NOESY Cross peaks and determination of the protein structure of a new world scorpion neurotoxin Using NOAH/DIAMOD
Deposition date:
2003-01-23
Original release date:
2003-08-07
Authors:
Xu, Y.; Jablonsky, M.; Jackson, P.; Krishna, N.; Braun, W.
Citation:

Citation: Xu, Y.; Jablonsky, M.; Jackson, P.; Braun, W; Krishna, N.. "Automatic Assignment of NOESY Cross Peaks and Determination of the Protein Structure of a New World Scorpion Neurotoxin Using NOAH/DIAMOD"  J. Magn. Reson. 148, 35-46 (2001).
PubMed: 11133274

Assembly members:

Assembly members:
Neurotoxin 5, polymer, 60 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: bark scorpion   Taxonomy ID: 218467   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Centruroides sculpturatus

Experimental source:

Experimental source:   Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Neurotoxin 5: KDGYPVDSKGCKLSCVANNY CDNQCKMKKASGGMCYAMSC YCEGLPENAKVSDSATNICG

Data sets:
Data typeCount
1H chemical shifts363
coupling constants24

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Neurotoxin 51

Entities:

Entity 1, Neurotoxin 5 60 residues - Formula weight is not available

1   LYSASPGLYTYRPROVALASPSERLYSGLY
2   CYSLYSLEUSERCYSVALALAASNASNTYR
3   CYSASPASNGLNCYSLYSMETLYSLYSALA
4   SERGLYGLYMETCYSTYRALAMETSERCYS
5   TYRCYSGLUGLYLEUPROGLUASNALALYS
6   VALSERASPSERALATHRASNILECYSGLY

Samples:

sample_1: Neurotoxin 5 mM

sample_cond_1: ionic strength: 1 mM; pH: 4.00 na; temperature: 313.00 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1
TOCSYsample_1not availablesample_cond_1

Software:

NOAH - refinement

DIAMOD - refinement

FANTOM - refinement

NMR spectrometers:

  • BRUKER AM 600 MHz

Related Database Links:

BMRB 5029
PDB
PIR C23727
SP P58779
AlphaFold P58779