BMRB Entry 16901
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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/BMR16901
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Bullesbach, Erika; Hass, Mathias; Jensen, Malene; Hansen, D. Flemming; Kristensen, Sren; Schwabe, Christian; Led, Jens. "Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (dagger) (double dagger)." Biochemistry ., .-. (2008).
PubMed: 19053253
Assembly members:
RLF-A, polymer, 26 residues, 2778.196 Da.
RLF-B, polymer, 31 residues, 3528.142 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):
RLF-A: AAATNPARYCCLSGCTQQDL
LTLCPY
RLF-B: PTPEMREKLCGHHFVRALVR
VCGGPRWSTEA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 48 |
| 15N chemical shifts | 5 |
| 1H chemical shifts | 812 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RLF-A | 1 |
| 2 | RLF-B | 2 |
Entities:
Entity 1, RLF-A 26 residues - 2778.196 Da.
This is the A chain of the relaxin-like factor (RLF)
| 1 | ALA | ALA | ALA | THR | ASN | PRO | ALA | ARG | TYR | CYS | ||||
| 2 | CYS | LEU | SER | GLY | CYS | THR | GLN | GLN | ASP | LEU | ||||
| 3 | LEU | THR | LEU | CYS | PRO | TYR |
Entity 2, RLF-B 31 residues - 3528.142 Da.
This is the B chain of the relaxin-like factor (RLF)
| 1 | PRO | THR | PRO | GLU | MET | ARG | GLU | LYS | LEU | CYS | ||||
| 2 | GLY | HIS | HIS | PHE | VAL | ARG | ALA | LEU | VAL | ARG | ||||
| 3 | VAL | CYS | GLY | GLY | PRO | ARG | TRP | SER | THR | GLU | ||||
| 4 | ALA |
Samples:
RLF_H2O: RLF-A0.1 – 1.2 mM; RLF-B0.1 – 1.2 mM; Na-d4-acetate/NaOD 40 mM; H2O 92%; D2O 8%
RLF_D2O: RLF-A 1.2 mM; RLF-B 1.2 mM; Na-d4-acetate/NaOD 40 mM; D2O 100%
15N-RLF_H2O: RLF-A, [U-15N], 0.2 – 1.2 mM; RLF-B, [U-15N], 0.2 – 1.2 mM; d4-acetic acid/NaOD 40 mM; H2O 92%; D2O 8%
1.2_mM_RLF_92%_H2O_8%_D2O-293K: pH: 5.0; temperature: 293 K
1.2_mM_RLF_92%_H2O_8%_D2O-296K: pH: 5.0; temperature: 296 K
1.2_mM_RLF_92%_H2O_8%_D2O-301K: pH: 5.0; temperature: 301 K
1.2_mM_RLF_92%_H2O_8%_D2O-303K: pH: 5.0; temperature: 303 K
1.2_mM_RLF_92%_H2O_8%_D2O-306K: pH: 5.0; temperature: 306 K
1.2_mM_RLF_92%_H2O_8%_D2O-308K: pH: 5.0; temperature: 308 K
1.2_mM_RLF_92%_H2O_8%_D2O-313K: pH: 5.0; temperature: 313 K
1.2_mM_RLF_100%_D2O-288K: pH: 2.7; temperature: 288 K
1.2_mM_RLF_100%_D2O-308K: pH: 5.0; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-288K |
| 2D DQF-COSY | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-308K |
| 2D DQF-COSY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-308K |
| 2D 1H-1H TOCSY | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-308K |
| 2D 1H-1H TOCSY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-308K |
| 2D 1H-13C HSQC | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-308K |
| 2D 1H-1H NOESY | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-288K |
| 2D 1H-1H NOESY | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-308K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-293K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-296K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-301K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-303K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-306K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-308K |
| 2D 1H-1H NOESY | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-313K |
| 2D 1H-15N HSQC | RLF_H2O | isotropic | 1.2_mM_RLF_92%_H2O_8%_D2O-308K |
| 2D 1H-13C HSQC | RLF_D2O | isotropic | 1.2_mM_RLF_100%_D2O-308K |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ARIA v2, Linge, O'Donoghue and Nilges - NOE assignment, structure solution
SPARKY v3.110, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PREDITOR, Wishart - bond angle prediction
NMR spectrometers:
- Varian INOVA 800 MHz
- Varian INOVA 500 MHz