BMRB Entry 25238
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25238
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 87 |
| 1H chemical shifts | 333 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 29 residues - 3315.897 Da.
| 1 | ASP | SER | TRP | MET | GLU | GLU | VAL | ILE | LYS | LEU | ||||
| 2 | CYS | GLY | ARG | GLU | LEU | VAL | ARG | ALA | GLN | ILE | ||||
| 3 | ALA | ILE | CYS | GLY | MET | SER | THR | TRP | SER |
Entity 2, entity_2 24 residues - 2661.184 Da.
| 1 | PCA | LEU | TYR | SER | ALA | LEU | ALA | ASN | LYS | CYS | ||||
| 2 | CYS | HIS | VAL | GLY | CYS | THR | LYS | ARG | SER | LEU | ||||
| 3 | ALA | ARG | PHE | CYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_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