BMRB Entry 25300

Title:
Structure of the bee venom toxin melittin with [(C5H5)Ru]+ fragment attached to the tryptophan residue   PubMed: 25688543
Deposition date:
2014-10-28
Original release date:
2015-06-29
Authors:
Perekalin, Dmitry; Pavlov, Alexander; Novikov, Valentin
Citation:

Citation: Perekalin, Dmitry; Novikov, Valentin; Pavlov, Alexander; Ivanov, Igor; Anisimova, Natalia; Kopylov, Alexey; Volkov, Dmitry; Seregina, Irina; Bolshov, Michail; Kudinov, Alexander. "Selective ruthenium labeling of the tryptophan residue in the bee venom Peptide melittin"  Chemistry 21, 4923-4925 (2015).

Assembly members:

Assembly members:
Ru-melittin, polymer, 26 residues, 3028.938 Da.
[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene-1,2,3,4-tetrayl]ruthenium, non-polymer, 285.262 Da.

Natural source:

Natural source:   Common Name: honey bee   Taxonomy ID: 7460   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Apis Mellifera

Experimental source:   Production method: purified from the natural source   Host organism: bee

Experimental source:

Natural source:   Common Name: honey bee   Taxonomy ID: 7460   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Apis Mellifera

Experimental source:   Production method: purified from the natural source   Host organism: bee

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ru-melittin: GIGAVLKVLTTGLPALISWI KRKRQQ

Data sets:
Data typeCount
13C chemical shifts22
1H chemical shifts174

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1
2entity_3UQ2

Entities:

Entity 1, entity 26 residues - 3028.938 Da.

1   GLYILEGLYALAVALLEULYSVALLEUTHR
2   THRGLYLEUPROALALEUILESERTRPILE
3   LYSARGLYSARGGLNGLN

Entity 2, entity_3UQ - C15 H13 Ru - 285.262 Da.

1   3UQ

Samples:

sample_1: entity 6 ± 1 mM; CD3OH 100 ± 1 %

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS_SOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 2266 2267 2268 245 36 449 450 451 452 453 454 455 456 457 458 459
PDB
EMBL CAA26038 CAC42164 CAD33921 CAH05131
GB AAO12202 AAO12204 AAO12205 ABB29918 ADN88075
PRF 0404199A 670043A
REF NP_001011607
SP P01501 P59262 P68408 P68409 Q8LW54
AlphaFold P68408