BMRB Entry 34620

Title:
Oxytocin NMR solution structure
Deposition date:
2021-05-04
Original release date:
2021-10-08
Authors:
Shalev, D.; Alshanski, I.; Yitzchaik, S.; Hurevich, M.
Citation:

Citation: Alshanski, I.; Shalev, D.; Yitzchaik, S.; Hurevich, M.. "Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis"  J. Biol. Inorg. Chem. 26, 809-815 (2021).
PubMed: 34459989

Assembly members:

Assembly members:
entity_1, polymer, 10 residues, 1008.196 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CYIQNCPLGX

Data sets:
Data typeCount
1H chemical shifts65

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 10 residues - 1008.196 Da.

1   CYSTYRILEGLNASNCYSPROLEUGLYNH2

Samples:

sample_1: ammonium acetate 5 ± 0.5 mM; Oxytocin 3.3 ± 0.2 mM

sample_conditions_1: ionic strength: 0.00665 M; pH: 6.7; pressure: 1 atm; temperature: 297.3 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1

Software:

TopSpin v3.6.2, Bruker Biospin - collection

NMRFAM-SPARKY v1.470, Lee, W.; Tonelli, M.; Markley, J. L. - chemical shift assignment, peak picking

CNS v3.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

UCSF Chimera v1.14, Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. - data analysis

NMR spectrometers:

  • Bruker AVANCE II 500.13 MHz