BMRB: 34632

NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL

Authors

Brancaccio, D., Carotenuto, A.

Assembly

PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2

Entity

1. PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2 (polymer, Thiol state: not present), 14 monomers, 1607.959 Da Detail

FVPWFSKFXG RILX

Formula weight

1607.959 Da

Source organism

Rana temporaria

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 92.1 %, Completeness (bb): 95.8 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	92.1 % (82 of 89)	92.1 % (82 of 89)
Backbone	95.8 % (23 of 24)	95.8 % (23 of 24)
Sidechain	90.8 % (59 of 65)	90.8 % (59 of 65)
Aromatic	76.2 % (16 of 21)	76.2 % (16 of 21)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. entity 1

FVPWFSKFXG RILX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0, Details 2 mM PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2	natural abundance		2 mM

Hide sample codition

Release date

2021-06-29

Citation

First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment
Bellavita, R., Casciaro, B., Di Maro, S., Brancaccio, D., Carotenuto, A., Falanga, A., Cappiello, F., Buommino, E., Galdiero, S., Novellino, E., Grossmann, T.N., Mangoni, M.L., Merlino, F., Grieco, P.
J. Med. Chem. (2021), 64, 11675-11694, PubMed 34296619 , DOI 10.1021/acs.jmedchem.1c01033 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2, : 1 : 7 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail