BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25238

Title: Solution NMR structure of Human Relaxin-2   PubMed: 25547165

Deposition date: 2014-09-19 Original release date: 2015-02-02

Authors: Haugaard-Kedstrom, Linda; Rosengren, K. Johan

Citation: Haugaard-Kedstrom, Linda; Hossain, M. Akhter; Daly, Norelle; Bathgate, Ross; Rinderknecht, Ernst; Wade, John; Craik, David; Rosengren, K. Johan. "Solution Structure, Aggregation Behaviour and Flexibility of Human Relaxin-2"  ACS Chem.Biol. 10, 891-900 (2015).

Assembly members:
entity_1, polymer, 29 residues, 3315.897 Da.
entity_2, polymer, 24 residues, 2661.184 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: DSWMEEVIKLCGRELVRAQI AICGMSTWS
entity_2: XLYSALANKCCHVGCTKRSL ARFC

Data sets:
Data typeCount
13C chemical shifts87
1H chemical shifts333

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 29 residues - 3315.897 Da.

1   ASPSERTRPMETGLUGLUVALILELYSLEU
2   CYSGLYARGGLULEUVALARGALAGLNILE
3   ALAILECYSGLYMETSERTHRTRPSER

Entity 2, entity_2 24 residues - 2661.184 Da.

1   PCALEUTYRSERALALEUALAASNLYSCYS
2   CYSHISVALGLYCYSTHRLYSARGSERLEU
3   ALAARGPHECYS

Samples:

sample_1: entity_1 1 ± 0.2 mM; entity_2 1 ± 0.2 mM; H2O 90%; D2O 10%

sample_2: entity_1 1 ± 0.2 mM; entity_2 1 ± 0.2 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.3, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - data analysis, peak picking

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz