BMRB Entry 31062

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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/BMR31062
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of mu-theraphotoxin Cg4a from Chinese tarantula Chilobrachys jingzhao
Deposition date:
2022-12-01
Original release date:
2023-10-31
Authors:
Sharma, G.; Jia, X.; Chin, Y.; Mobli, M.
Citation:

Citation: Sharma, G.; Deuis, J.; Rahnama, S.; Jia, X.; Chin, Y.; Undheim, E.; Vetter, I.; Mobli, M.. "Solution structure of mu-theraphotoxin Cg4a from Chinese tarantula Chilobrachys jingzhao"  .

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 3942.549 Da.

Natural source:

Natural source:   Common Name: Chilobrachys guangxiensis   Taxonomy ID: 278060   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Chilobrachys guangxiensis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SCKVPFNECKYGADECCKGY VCSKRDGWCKYHIN

Data typeCount
13C chemical shifts148
15N chemical shifts35
1H chemical shifts220

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 34 residues - 3942.549 Da.

1   SERCYSLYSVALPROPHEASNGLUCYSLYS
2   TYRGLYALAASPGLUCYSCYSLYSGLYTYR
3   VALCYSSERLYSARGASPGLYTRPCYSLYS
4   TYRHISILEASN

Samples:

sample_1: Mu-theraphotoxin Cg4a, [U-100% 13C; U-100% 15N], 340 uM; sodium acetate 20 mM; D2O, [U-2H], 5%

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

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - collection, processing

TALOS-N, TALOS - geometry optimization

Rowland NMR Toolkit (RNMRTK), http://rnmrtk.uchc.edu/rnmrtk/RNMRTK. html - processing

NMR spectrometers:

  • Bruker AVANCE NEO 900 MHz

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