BMRB Entry 16968
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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/BMR16968
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Title: The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF) PubMed: 19086273
Deposition date: 2010-06-01 Original release date: 2010-06-22
Authors: Bullesbach, Erika; Hass, Mathias; Jensen, Malene; Hansen, Flemming; Kristensen, Soren; Schwabe, Christian; Led, Jens
Citation: Bullesbach, Erika; Hass, Mathias; Jensen, Malene; Hansen, Flemming; Kristensen, Soren; Schwabe, Christian; Led, Jens. "The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)" Biochemistry 47, 13308-13317 (2008).
Assembly members:
RLF-A_crosslinked, polymer, 27 residues, Formula weight is not available
RLF-B_crosslinked, polymer, 27 residues, Formula weight is not available
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_crosslinked: AAATNPARYCCLSGCTQQDL
LTLCPYG
RLF-B_crosslinked: PTPEMREKLCGHHFVRALVR
VCGGPKW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 58 |
| 1H chemical shifts | 619 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RLF-A_crosslinked | 1 |
| 2 | RLF-B_crosslinked | 2 |
Entities:
Entity 1, RLF-A_crosslinked 27 residues - Formula weight is not available
residue 132 is a glycine linked through the C-terminal carboxyl group to the 6-amino group of lysine 50 of the RLF B chain
| 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 | GLY |
Entity 2, RLF-B_crosslinked 27 residues - Formula weight is not available
residue 50 is a lysine linked through the 6-amino group to the C-terminal carboxyl group of glycine132
| 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 | LYS | TRP |
Samples:
RLF_crosslinked_H2O: RLF-A_crosslinked 1.2 mM; RLF-B_crosslinked 1.2 mM; sodium acetate 1.2 mM; Na-d4-acetate/NaOD 40 mM; H2O 92%; D2O 8%
RLF_crosslinked_D2O: RLF-A_crosslinked 1.2 mM; RLF-B_crosslinked 1.2 mM; sodium acetate 1.2 mM; Na-d4-acetate/NaOD 40 mM; D2O 100%
RLF_crosslinked_H2O_308: pH: 5.0; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | RLF_crosslinked_D2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-1H TOCSY | RLF_crosslinked_D2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-1H TOCSY | RLF_crosslinked_D2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-13C HSQC | RLF_crosslinked_D2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-1H NOESY | RLF_crosslinked_D2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-1H TOCSY | RLF_crosslinked_H2O | isotropic | RLF_crosslinked_H2O_308 |
| 2D 1H-1H NOESY | RLF_crosslinked_H2O | isotropic | RLF_crosslinked_H2O_308 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ARIA v2.1, Linge, O, . - 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
Related Database Links:
| BMRB | 16901 |
| PDB | |
| DBJ | BAG63984 |
| EMBL | CAA52017 |
| GB | AAB31371 AAH32810 AAH53345 AAH71706 AAI06722 |
| REF | NP_001171286 NP_005534 XP_003275863 XP_003915200 XP_007993939 |
| SP | P51460 Q5CZK3 |