BMRB Entry 30896

Title:
Structure of Hact-4
Deposition date:
2021-04-19
Original release date:
2022-07-28
Authors:
Schmidt, C.; Daly, N.
Citation:

Citation: Schmidt, Casey; Cooke, Ira; Wilson, David; Miller, David; Peigneur, Steve; Tytgat, Jan; Field, Matthew; Takjoo, Rozita; Smout, Michael; Loukas, Alex; Daly, Norelle. "Newly Discovered Peptides from the Coral Heliofungia actiniformis Show Structural and Functional Diversity"  J. Nat. Prod. 85, 1789-1798 (2022).
PubMed: 35829679

Assembly members:

Assembly members:
entity_1, polymer, 44 residues, 4761.441 Da.

Natural source:

Natural source:   Common Name: stony corals   Taxonomy ID: 75303   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Heliofungia actiniformis

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XPRSHVDCPALHGQCQSLPC TYPLVFVGPDPFHCGPYPQF GCCA

Data sets:
Data typeCount
13C chemical shifts52
15N chemical shifts7
1H chemical shifts257

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 44 residues - 4761.441 Da.

1   PCAPROARGSERHISVALASPCYSPROALA
2   LEUHISGLYGLNCYSGLNSERLEUPROCYS
3   THRTYRPROLEUVALPHEVALGLYPROASP
4   PROPHEHISCYSGLYPROTYRPROGLNPHE
5   GLYCYSCYSALA

Samples:

sample_1: Hact-4 0.5 mM

sample_conditions_1: ionic strength: 1 Not defined; pH: 3.5; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin v3.98.13, Bruker Biospin - collection

CcpNmr Analysis v3.98.13, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

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