BMRB Entry 30372

Title:
NMR Solution structure of U-SLPTX15-Sm2a
Deposition date:
2017-11-09
Original release date:
2018-11-06
Authors:
Harvey, P.; Craik, D.; Durek, T.; Dash, T.
Citation:

Citation: Dash, Thomas; Shafee, Thomas; Harvey, Peta; Zhang, Chuchu; Peigneur, Steve; Deuis, Jennifer; Vetter, Irina; Tytgat, Jan; Anderson, Marilyn; Craik, David; Durek, Thomas; Undheim, Eivind. "A Centipede Toxin Family Defines an Ancient Class of CSab Defensins"  Structure 27, 315-326 (2019).
PubMed: 30554841

Assembly members:

Assembly members:
entity_1, polymer, 53 residues, 6007.699 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts115
15N chemical shifts43
1H chemical shifts346

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 53 residues - 6007.699 Da.

1   GLUGLUTHRGLUGLUPROILEARGHISALA
2   LYSLYSASNPROSERGLUGLYGLUCYSLYS
3   LYSALACYSALAASPALAPHEALAASNGLY
4   ASPGLNSERLYSILEALALYSALAGLUASN
5   PHELYSASPTYRTYRCYSASNCYSHISILE
6   ILEILEHIS

Samples:

sample_1: peptide 1.0 mM

sample_2: peptide 1.0 mM

sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1not availablesample_conditions_1
2D 1H-1H ECOSYsample_2not availablesample_conditions_1
2D 1H-13C HSQC aliphaticsample_2not availablesample_conditions_1
2D 1H-15N HSQCsample_1not availablesample_conditions_1
2D 1H-1H NOESYsample_2not availablesample_conditions_1
2D 1H-1H NOESYsample_1not availablesample_conditions_1
2D 1H-1H TOCSYsample_2not availablesample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNMR, CCPN - chemical shift assignment

MOLPROBITY, Richardson - data analysis

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

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