BMRB Entry 30792

Name: Peptide from stony coral Heliofungia actiniformis: Hact-1
Published: 2020-11-20

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PDB ID: 7k1m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30792
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Peptide from stony coral Heliofungia actiniformis: Hact-1

Deposition date:

2020-09-08

Original release date:

2020-11-20

Authors:

Daly, N.; Schmidt, C.

Citation:

Citation: Schmidt, Casey; Wilson, David; Cooke, Ira; Potriquet, Jeremy; Tungatt, Katie; Muruganandah, Visai; Boote, Chloe; Kuek, Felicity; Miles, John; Kupz, Andreas; Ryan, Stephanie; Loukas, Alex; Bansal, Paramjit; Takjoo, Rozita; Miller, David; Peigneur, Steve; Tytgat, Jan; Daly, Norelle. "Identification and Characterization of a Peptide from the Stony Coral Heliofungia actiniformis" J. Nat. Prod. 83, 3454-3463 (2020).
PubMed: 33166137

Assembly members:

Assembly members:
entity_1, polymer, 12 residues, 1358.607 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: GCHYTPFGLICF

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	25
1H chemical shifts	72

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 12 residues - 1358.607 Da.

1

GLY

CYS

HIS

TYR

THR

PRO

PHE

GLY

LEU

ILE

2

CYS

PHE

Samples:

sample_1: Hact-1 0.5 mM

sample_conditions_1: ionic strength: 1 mM; pH: 4; pressure: 1 atm; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D TOCSY	sample_1	anisotropic	sample_conditions_1
2D NOESY	sample_1	anisotropic	sample_conditions_1
2D COSY	sample_1	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - data analysis

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

NMR spectrometers:

Bruker AVANCE 600 MHz