BMRB Entry 25050

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25050
MolProbity Validation Chart

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Title:
Hm-3
Deposition date:
2014-06-27
Original release date:
2014-11-03
Authors:
Myshkin, Mikhail; Shenkarev, Zakhar; Paramonov, Alexander; Berkut, Antonina; Grishin, Eugene; Vassilevski, Alexander
Citation:

Citation: Berkut, Antonina; Myshkin, Mikhail; Peigneur, Steve; Paramonov, Alexander; Lyukmanova, Ekaterina; Tytgat, Jan; Arseniev, Alexander; Grishin, Eugene; Shenkarev, Zakhar; Vassilevski, Alexander. "Structure of membrane-active toxin from crab spider Heriaeus melloteei suggests parallel evolution of sodium channel gating modifiers in Araneomorphae and Mygalomorphae"  J. Biol. Chem. ., .-..

Assembly members:

Assembly members:
Hm-3, polymer, 35 residues, 3919.718 Da.

Natural source:

Natural source:   Common Name: crab spider   Taxonomy ID: 504442   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Heriaeus melloteei

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-32b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hm-3: GCIAKNKECAWFSGEWCCGA LSCKYSIKRNLKICV

Data sets:
Data typeCount
1H chemical shifts236
13C chemical shifts88

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1membrane-active toxin1

Entities:

Entity 1, membrane-active toxin 35 residues - 3919.718 Da.

1   GLYCYSILEALALYSASNLYSGLUCYSALA
2   TRPPHESERGLYGLUTRPCYSCYSGLYALA
3   LEUSERCYSLYSTYRSERILELYSARGASN
4   LEULYSILECYSVAL

Samples:

hm3_h2o: hm3 0.5 mM; H20 95%; D2O 5%

hm3_d2o: Hm-3 0.5 mM; D2O 100%

sample_conditions_1: temperature: 308 K; pH: 5.2; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYhm3_h2oisotropicsample_conditions_1
2D 1H-1H TOCSYhm3_h2oisotropicsample_conditions_1
2D DQF-COSYhm3_d2oisotropicsample_conditions_1
2D 1H-13C HSQC aliphatichm3_h2oisotropicsample_conditions_1
2D 1H-1H NOESYhm3_d2oisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CARA, Keller R. - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
SP C0HJK5
AlphaFold C0HJK5