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BMRB: 34632


34632
7OS8
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
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Polymer type: polypeptide(L)

Total1H
All92.1 % (82 of 89)92.1 % (82 of 89)
Backbone95.8 % (23 of 24)95.8 % (23 of 24)
Sidechain90.8 % (59 of 65)90.8 % (59 of 65)
Aromatic76.2 % (16 of 21)76.2 % (16 of 21)
Methyl100.0 % (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


#NameIsotope labelingTypeConcentration
1PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2natural abundance2 mM

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 ,
Related entities 1. PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2, : 1 : 7 entities Detail
More details for 8 related entities
Experiments performed 4 experiments Detail
Chemical shift validation 3 contents Detail
Keywords ANTIMICROBIAL PROTEIN, antimicrobic, conformational analysis