BMRB Entry 30011

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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/BMR30011
MolProbity Validation Chart

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Title:
Resonance assignments and NMR structure determination of tarantula toxin- W7A mutant of mu-TRTX-Pre1a
Deposition date:
2016-02-09
Original release date:
2017-06-22
Authors:
Chin, Y.K.-Y.; Wingerd, J.; Mobli, M.; Rash, L.
Citation:

Citation: Wingerd, J.; Chin, Y.K.-Y.; Cristofori-Armstrong, B.; Mobli, M.; Rash, L.. "Resonance assignments and NMR structure determination of tarantula toxin- W7A mutant of mu-TRTX-Pre1a"  .

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 4214.890 Da.

Natural source:

Natural source:   Common Name: spiders   Taxonomy ID: 179873   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Psalmopoeus not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SEDCLGAFSRCSPKNDKCCP NYKCSSKDLWCKYKIW

Data typeCount
13C chemical shifts155
15N chemical shifts36
1H chemical shifts239

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 36 residues - 4214.890 Da.

1   SERGLUASPCYSLEUGLYALAPHESERARG
2   CYSSERPROLYSASNASPLYSCYSCYSPRO
3   ASNTYRLYSCYSSERSERLYSASPLEUTRP
4   CYSLYSTYRLYSILETRP

Samples:

sample_1: D2O 5%; W7A-mu-TRTX-Pre1a, [U-99% 13C; U-99% 15N], 300 uM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
4D HCC(co)NH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment, peak picking

Rowland NMR Toolkit, Jeff Hoch - processing

TOPSPIN, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Bruker AvanceII 900 MHz

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