BMRB Entry 4419

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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/BMR4419
MolProbity Validation Chart

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Title:
NMR structure with tightly bound water molecules of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution (major form)
Deposition date:
1999-09-23
Original release date:
1999-11-12
Authors:
Dementieva, D.; Bocharov, E.; Arseniev, A.
Citation:

Citation: Dementieva, D.; Bocharov, E.; Arseniev, A.. "Two forms of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution. Spatial structures with tightly bound water molecules"  Eur. J. Biochem. 263, 152-162 (1999).

Assembly members:

Assembly members:
cytotoxin 2, polymer, 60 residues, 6620 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: natural source

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts440
coupling constants52

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CTII1

Entities:

Entity 1, CTII 60 residues - 6620 Da.

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

Samples:

sample_1: cytotoxin 2 5.0 mM

sample_cond_1: pH: 5.5; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
DQ-COSYsample_1not availablesample_cond_1
TOCSYsample_1not availablesample_cond_1
NOESYsample_1not availablesample_cond_1
ROESYsample_1not availablesample_cond_1

Software:

XEASY v1.2.11 - peak assignments

DYANA v1.4 - structure calculation

FANTOM v4 - energy minimization

MOLMOL v2.5.1 - visualization and structure analysis

NMR spectrometers:

  • Varian Unity 600 MHz

Related Database Links:

BMRB 4418
PDB
GB AAB24494
SP P01441 Q9PS34
AlphaFold P01441 Q9PS34