BMRB Entry 18970

Title:
peptide leucine arginine
Deposition date:
2013-01-23
Original release date:
2013-09-10
Authors:
Polte, Tobias
Citation:

Citation: Rothemund, Sven; Sonnichsen, Frank; Polte, Tobias. "Therapeutic potential of the peptide leucine arginine as a new nonplant bowman-birk-like serine protease inhibitor."  J. Med. Chem. 56, 6732-6744 (2013).
PubMed: 23988198

Assembly members:

Assembly members:
entity, polymer, 18 residues, 2141.617 Da.

Natural source:

Natural source:   Common Name: Humans   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: LVRGCWTKSYPPKPCFVR

Data sets:
Data typeCount
13C chemical shifts44
1H chemical shifts110

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1peptide1

Entities:

Entity 1, peptide 18 residues - 2141.617 Da.

1   LEUVALARGGLYCYSTRPTHRLYSSERTYR
2   PROPROLYSPROCYSPHEVALARG

Samples:

sample_1: H2O 90%; D2O 10%; peptide 1 mM

sample_2: D2O 100%; peptide 1 mM

sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: temperature: 293 K

sample_conditions_3: temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

NMRView v8.0.3, Johnson, One Moon Scientific - chemical shift assignment, data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
EMBL CAC93861
GB AFR43669
SP P83663 Q90WP7
AlphaFold Q90WP7 P83663