BMRB Entry 30839

Name: Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Published: 2021-09-01

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PDB ID: 7l98
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30839
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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:

Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability

Deposition date:

2021-01-03

Original release date:

2021-09-01

Authors:

Hoang, H.

Citation:

Citation: Hoang, H.; Hill, T.; Fairlie, D.. "Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability." Angew. Chem. Int. Ed. Engl. 60, 8385-8390 (2021).
PubMed: 33185961

Assembly members:

Assembly members:
entity_1, polymer, 6 residues, 753.951 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AXPIPX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	10

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 6 residues - 753.951 Da.

1

ALA

MEA

PRO

ILE

PRO

ITZ

Samples:

sample_1: compound 10 Cyclic peptide ALA-MEA-PRO-ILE-PRO-ITZ 1.0 mM

sample_conditions_1: ionic strength: 0.1 mM; pH: 7.0; pressure: 1.0 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

TopSpin, Bruker Biospin - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 600 MHz