BMRB Entry 34515
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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/BMR34515
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: NMR solution structure of unbound recombinant human Nerve Growth Factor (rhNGF) PubMed: 34136093
Deposition date: 2020-04-29 Original release date: 2021-05-07
Authors: Golic Grdadolnik, S.; Paoletti, F.
Citation: Paoletti, Francesca; Merzel, Franci; Cassetta, Alberto; Ogris, Iza; Covaceuszach, Sonia; Grdadolnik, Joze; Lamba, Doriano; Golic Grdadolnik, Simona. "Endogenous modulators of neurotrophin signaling: Landscape of the transient ATP-NGF interactions" Comput. Struct. Biotechnol. J. 19, 2938-2949 (2021).
Assembly members:
entity_1, polymer, 118 residues, 13287.139 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):
entity_1: SSSHPIFHRGEFSVCDSVSV
WVGDKTTATDIKGKEVMVLG
EVNINNSVFKQYFFETKCRD
PNPVDSGCRGIDSKHWNSYC
TTTHTFVKALTMDGKQAAWR
FIRIDTACVCVLSRKAVR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 658 |
| 15N chemical shifts | 228 |
| 1H chemical shifts | 1530 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 118 residues - 13287.139 Da.
| 1 | SER | SER | SER | HIS | PRO | ILE | PHE | HIS | ARG | GLY | ||||
| 2 | GLU | PHE | SER | VAL | CYS | ASP | SER | VAL | SER | VAL | ||||
| 3 | TRP | VAL | GLY | ASP | LYS | THR | THR | ALA | THR | ASP | ||||
| 4 | ILE | LYS | GLY | LYS | GLU | VAL | MET | VAL | LEU | GLY | ||||
| 5 | GLU | VAL | ASN | ILE | ASN | ASN | SER | VAL | PHE | LYS | ||||
| 6 | GLN | TYR | PHE | PHE | GLU | THR | LYS | CYS | ARG | ASP | ||||
| 7 | PRO | ASN | PRO | VAL | ASP | SER | GLY | CYS | ARG | GLY | ||||
| 8 | ILE | ASP | SER | LYS | HIS | TRP | ASN | SER | TYR | CYS | ||||
| 9 | THR | THR | THR | HIS | THR | PHE | VAL | LYS | ALA | LEU | ||||
| 10 | THR | MET | ASP | GLY | LYS | GLN | ALA | ALA | TRP | ARG | ||||
| 11 | PHE | ILE | ARG | ILE | ASP | THR | ALA | CYS | VAL | CYS | ||||
| 12 | VAL | LEU | SER | ARG | LYS | ALA | VAL | ARG |
Samples:
sample_1: Nerve Growth Factor, [U-99% 15N], 0.1 mM; HEPES 50 mM
sample_2: Nerve Growth Factor, [U-99% 13C; U-99% 15N], 0.1 mM; HEPES 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3.2, Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M. - refinement, structure calculation
CARA, Keller and Wuthrich - data analysis, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Agilent VNMRS 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts