BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 34039

Title: Minor form of the recombinant cytotoxin-1 from N. oxiana

Authors: Dubovskii, P.; Dubinnyi, M.; Shulepko, M.; Lyukmanova, E.; Dolgikh, D.; Kirpichnikov, M.; Efremov, R.

Citation: Dubovskii, P.; Dubinnyi, M.; Konshina, A.; Kazakova, E.; Sorokoumova, G.; Ilyasova, T.; Shulepko, M.; Lyukmanova, E.; Chertkova, R.; Efremov, R.; Shulepko, M.; Lyukmanova, E.; Shenkarev, Z.; Dubovskii, P.; Astapova, M.; Feofanov, A.; Arseniev, A.; Utkin, Y.; Kirpichnikov, M.; Dolgikh, D.. "Cytotoxin I from N. oxiana: structure and dynamics of the recombinant and native toxin"  to be published ., .-..

Assembly members:
entity_1, polymer, 61 residues, 6962.535 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: MLKCNKLVPIAYKTCPEGKN LCYKMFMMSDLTIPVKRGCI DVCPKNSLLVKYVCCNTDRC N

Data sets:
Data typeCount
13C chemical shifts277
15N chemical shifts61
1H chemical shifts454

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 61 residues - 6962.535 Da.

1   METLEULYSCYSASNLYSLEUVALPROILE
2   ALATYRLYSTHRCYSPROGLUGLYLYSASN
3   LEUCYSTYRLYSMETPHEMETMETSERASP
4   LEUTHRILEPROVALLYSARGGLYCYSILE
5   ASPVALCYSPROLYSASNSERLEULEUVAL
6   LYSTYRVALCYSCYSASNTHRASPARGCYS
7   ASN

Samples:

sample_1: D2O, [U-99.9% 2H], 5 ± 0.1 v/v; H2O 95 ± 0.1 v/v; HCl 1 ± 0.1 uM; NaOH 3 ± 0.1 uM; recombinant cytotoxin-1, [U-99% 13C; U-99% 15N], 1 ± 0.1 mM

sample_conditions_1: pH: 6.5; pressure: 101325 Pa; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
1D watergatesample_1isotropicsample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

CYANA v1.0.6, Guntert, Mumenthaler and Wuthrich - structure calculation

Rosetta v3.3, David Baker - refinement

TOPSPIN v2.0.a, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz

Related Database Links: