BMRB Entry 19870
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19870
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Title: Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein
Deposition date: 2014-03-20 Original release date: 2014-06-23
Authors: Amero, Carlos; Maya, Robero; Gil, Paloma
Citation: Maya, Robero; Gil, Paloma; Amero, Carlos. "Solution Structure of 6aJL2 and 6aJL2-R24G Amyloidogenic Light Chain Proteins" Not known ., .-..
Assembly members:
6aJL2, polymer, 111 residues, 11962.002 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
6aJL2: NFMLTQPHSVSESPGKTVTI
SCTRSSGSIASNYVQWYQQR
PGSSPTTVIYEDNQRPSGVP
DRFSGSIDSSSNSASLTISG
LKTEDEADYYCQSYDSSNHV
VFGGGTKLTVL
- assigned_chemical_shifts
- conformer_family_coord_set
| Data type | Count |
| 1H chemical shifts | 638 |
| 15N chemical shifts | 98 |
| 13C chemical shifts | 384 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 6aJL2 Amyloidogenic Light Chain Protein | 1 |
Entities:
Entity 1, 6aJL2 Amyloidogenic Light Chain Protein 111 residues - 11962.002 Da.
| 1 | ASN | PHE | MET | LEU | THR | GLN | PRO | HIS | SER | VAL | ||||
| 2 | SER | GLU | SER | PRO | GLY | LYS | THR | VAL | THR | ILE | ||||
| 3 | SER | CYS | THR | ARG | SER | SER | GLY | SER | ILE | ALA | ||||
| 4 | SER | ASN | TYR | VAL | GLN | TRP | TYR | GLN | GLN | ARG | ||||
| 5 | PRO | GLY | SER | SER | PRO | THR | THR | VAL | ILE | TYR | ||||
| 6 | GLU | ASP | ASN | GLN | ARG | PRO | SER | GLY | VAL | PRO | ||||
| 7 | ASP | ARG | PHE | SER | GLY | SER | ILE | ASP | SER | SER | ||||
| 8 | SER | ASN | SER | ALA | SER | LEU | THR | ILE | SER | GLY | ||||
| 9 | LEU | LYS | THR | GLU | ASP | GLU | ALA | ASP | TYR | TYR | ||||
| 10 | CYS | GLN | SER | TYR | ASP | SER | SER | ASN | HIS | VAL | ||||
| 11 | VAL | PHE | GLY | GLY | GLY | THR | LYS | LEU | THR | VAL | ||||
| 12 | LEU |
Samples:
sample_1: sodium phosphate 50 mM; sodium chloride 75 mM; D2O 5%; 6aJL2, [U-100% 15N], 1 mM; H2O 95%
sample_2: sodium phosphate 50 mM; sodium chloride 75 mM; D2O 5%; 6aJL2, [U-100% 13C; U-100% 15N], 1 mM; H2O 95%
sample_conditions: temperature: 298 K; pH: 7.4; pressure: 1 atm; ionic strength: 75 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions |
| 3D HNCACB | sample_2 | isotropic | sample_conditions |
| 3D HNCA | sample_2 | isotropic | sample_conditions |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions |
| 3D HNCO | sample_2 | isotropic | sample_conditions |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions |
| 3D HCACO | sample_2 | isotropic | sample_conditions |
Software:
NMRView v5.2.2_01, Johnson, One Moon Scientific - peak picking
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution, refinement
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Rochus L.J. Keller - chemical shift assignment
NMR spectrometers:
- Varian Uniform NMR System 700 MHz
Related Database Links:
| BMRB | 15276 19798 |
| PDB | |
| DBJ | BAA19991 BAC01822 BAC01823 BAC01857 BAC01860 |
| EMBL | CAA85625 CAD43014 CAJ75494 CAJ75495 CAP74492 |
| GB | AAB33217 AAG24684 AAG24687 AAG24688 AAG24689 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts