BMRB Entry 25031

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25031
MolProbity Validation Chart

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Title:
NMR structure of spider toxin Mu-TRTX-Hhn2b
Deposition date:
2014-06-19
Original release date:
2015-07-13
Authors:
Klint, Julie; Chin, Yanni; Mobli, Mehdi
Citation:

Citation: Klint, Julie; Chin, Yanni; King, Glenn; Mobli, Mehdi. "Rational engineering defines a molecular switch that is essential for activity of spider-venom peptides against the analgesics target NaV1.7"  .

Assembly members:

Assembly members:
entity, polymer, 34 residues, 3691.338 Da.

Natural source:

Natural source:   Common Name: Chinese bird spider   Taxonomy ID: 209901   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Haplopelma hainanum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pR7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: AECKGFGKSCVPGKNECCSG YACNSRDKWCKVLL

Data sets:
Data typeCount
13C chemical shifts140
15N chemical shifts35
1H chemical shifts217

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Hhn2b1

Entities:

Entity 1, Hhn2b 34 residues - 3691.338 Da.

1   ALAGLUCYSLYSGLYPHEGLYLYSSERCYS
2   VALPROGLYLYSASNGLUCYSCYSSERGLY
3   TYRALACYSASNSERARGASPLYSTRPCYS
4   LYSVALLEULEU

Samples:

13C-15N_Hhn2b: Hhn2b, [U-99% 13C; U-99% 15N], 300 mM; sodium acetate 20 mM; D2O 5%; H2O 95%

sample_conditions_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC13C-15N_Hhn2bisotropicsample_conditions_1
3D CBCA(CO)NH13C-15N_Hhn2bisotropicsample_conditions_1
3D HNCACB13C-15N_Hhn2bisotropicsample_conditions_1
3D HNCO13C-15N_Hhn2bisotropicsample_conditions_1
3D 1H-13C NOESY aliphatic13C-15N_Hhn2bisotropicsample_conditions_1
3D 1H-13C NOESY aromatic13C-15N_Hhn2bisotropicsample_conditions_1
3D 1H-15N NOESY13C-15N_Hhn2bisotropicsample_conditions_1
3D HBHA(CO)NH13C-15N_Hhn2bisotropicsample_conditions_1
4D HCC(CO)NH13C-15N_Hhn2bisotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CcpNmr_Analysis v2.2, CCPN - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 900 MHz

Related Database Links:

PDB
GB ADB56669 ADB56670 ADB56671
SP D2Y1X6 D2Y1X7 D2Y1X8
AlphaFold D2Y1X6 D2Y1X7 D2Y1X8

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks