BMRB Entry 4815

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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/BMR4815
MolProbity Validation Chart

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Title:
NMR structure of Cardiotoxin in DPC-micelle
Deposition date:
2000-08-28
Original release date:
2000-11-13
Authors:
Dubovskii, P.; Dementieva, D.; Bocharov, E.; Utkin, Yu.; Arseniev, A.
Citation:

Citation: Dubovskii, P.; Dementieva, D.; Bocharov, E.; Utkin, Yu.; Arseniev, A.. "Membrane Binding Motif of the P-type Cardiotoxin"  J. Mol. Biol. 305, 137-149 (2001).
PubMed: 11114253

Assembly members:

Assembly members:
CYTOTOXIN 2, polymer, 60 residues, 6732 Da.

Natural source:

Natural source:   Common Name: Snake   Taxonomy ID: 8657   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Naja oxiana

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CYTOTOXIN 2: LKCKKLVPLFSKTCPAGKNL CYKMFMVAAPHVPVKRGCID VCPKSSLLVKYVCCNTDKCN

Data sets:
Data typeCount
1H chemical shifts435
coupling constants52

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CYTOTOXIN 21

Entities:

Entity 1, CYTOTOXIN 2 60 residues - 6732 Da.

1   LEULYSCYSLYSLYSLEUVALPROLEUPHE
2   SERLYSTHRCYSPROALAGLYLYSASNLEU
3   CYSTYRLYSMETPHEMETVALALAALAPRO
4   HISVALPROVALLYSARGGLYCYSILEASP
5   VALCYSPROLYSSERSERLEULEUVALLYS
6   TYRVALCYSCYSASNTHRASPLYSCYSASN

Samples:

sample_1: CYTOTOXIN 2 3.0 mM; perdeuterated dodecylphosphocholine 120 mM; H2O 90%; D2O 10%

sample_2: CYTOTOXIN 2 3.0 mM; perdeuterated dodecylphosphocholine 120 mM; D2O 100%

sample_cond_1: pH: 5.5; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablesample_cond_1
TOCSYnot availablenot availablesample_cond_1
DQF-COSYnot availablenot availablesample_cond_1
ROESYnot availablenot availablesample_cond_1

Software:

VNMR v6.1A - data collection

XEASY v1.2.11 - data analysis

DYANA v1.5 - structure calculation

NMR spectrometers:

  • Varian Unity 600 MHz

Related Database Links:

SWISS-PROT P01441 Q9PS34
PDB
GenBank AAB24494
BMRB 4418 4419