BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25775

Title: Structure of spider-venom peptide Hm1a

Deposition date: 2015-08-27 Original release date: 2016-08-25

Authors: Undheim, Eivind; King, Glenn; Mobli, Mehdi

Citation: Undheim, Eivind; King, Glenn; Mobli, Mehdi; Petrou, Steven. "Structure of spider-venom peptide Hm1a"  Not known ., .-..

Assembly members:
Hm1a, polymer, 35 residues, 4008.488 Da.

Natural source:   Common Name: spiders   Taxonomy ID: 268413   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Heteroscodra maculata

Experimental source:   Production method: chemical synthesis   Host organism: not applicable

Entity Sequences (FASTA):
Hm1a: ECRYLFGGCSSTSDCCKHLS CRSDWKYCAWDGTFS

Data sets:
Data typeCount
13C chemical shifts107
15N chemical shifts38
1H chemical shifts211

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1spider-venom peptide Hm1a1

Entities:

Entity 1, spider-venom peptide Hm1a 35 residues - 4008.488 Da.

1   GLUCYSARGTYRLEUPHEGLYGLYCYSSER
2   SERTHRSERASPCYSCYSLYSHISLEUSER
3   CYSARGSERASPTRPLYSTYRCYSALATRP
4   ASPGLYTHRPHESER

Samples:

sample_1: Hm1a 1.0 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

TALOS, Cornilescu, Delaglio and Bax - dihedral angle estimation

NMR spectrometers:

  • Bruker Avance 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts