BMRB Entry 18637
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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/BMR18637
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Title: 1H, 13C and 15N chemical shift assignments of Na-FAR-1, a helix-rich fatty acid and retinol binding protein of the parasitic nematode Necator americanus PubMed: 23179061
Deposition date: 2012-08-03 Original release date: 2013-02-12
Authors: Rey Burusco, M Florencia; Ibanez Shimabukuro, Marina; Cooper, Alan; Kennedy, Malcolm; Corsico, Betina; Smith, Brian
Citation: Rey-Burusco, M. Florencia; Ibanez-Shimabukuro, Marina; Cooper, Alan; Kennedy, Malcolm; Corsico, Betina; Smith, Brian. "H, 13C and 15N chemical shift assignments of Na-FAR-1, a helix-rich fatty acid and retinol binding protein of the parasitic nematode Necator americanus." Biomol. NMR Assignments 8, 19-21 (2014).
Assembly members:
rNa-FAR-1, polymer, 170 residues, 18779.5025 Da.
Natural source: Common Name: nematodes Taxonomy ID: 51031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Necator americanus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
rNa-FAR-1: MGSSHHHHHHSSGHMFKYED
IPADYRDLMPPEARDFLQNL
SDGDKTVLKEVFKAGPYKNT
EESIAALKKKSPELGAKVEK
LHAMVKSKIAALGPEAKGFA
EKSIEIARGIKARYYTGNEP
TKDDLKASVKEVLKLYKAMS
DAGKADFGKQFPFLAKVFES
GKAAKFAGEN
- assigned_chemical_shifts
- spectral_peak_list
- peak_list_1
- peak_list_1_2
- peak_list_1_2_3
- peak_list_1_2_3_4
- peak_list_1_2_3_4_5
- peak_list_1_2_3_4_5_6
- peak_list_1_2_3_4_5_6_7
- peak_list_1_2_3_4_5_6_7_8
- peak_list_1_2_3_4_5_6_7_8_9
- peak_list_1_2_3_4_5_6_7_8_9_10
- peak_list_1_2_3_4_5_6_7_8_9_10_11
- peak_list_1_2_3_4_5_6_7_8_9_10_11_12
- peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13
| Data type | Count |
| 13C chemical shifts | 862 |
| 15N chemical shifts | 282 |
| 1H chemical shifts | 1244 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | rNa-FAR-1 | 1 |
Entities:
Entity 1, rNa-FAR-1 170 residues - 18779.5025 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | |
| 2 | SER | SER | GLY | HIS | MET | PHE | LYS | TYR | GLU | ASP | |
| 3 | ILE | PRO | ALA | ASP | TYR | ARG | ASP | LEU | MET | PRO | |
| 4 | PRO | GLU | ALA | ARG | ASP | PHE | LEU | GLN | ASN | LEU | |
| 5 | SER | ASP | GLY | ASP | LYS | THR | VAL | LEU | LYS | GLU | |
| 6 | VAL | PHE | LYS | ALA | GLY | PRO | TYR | LYS | ASN | THR | |
| 7 | GLU | GLU | SER | ILE | ALA | ALA | LEU | LYS | LYS | LYS | |
| 8 | SER | PRO | GLU | LEU | GLY | ALA | LYS | VAL | GLU | LYS | |
| 9 | LEU | HIS | ALA | MET | VAL | LYS | SER | LYS | ILE | ALA | |
| 10 | ALA | LEU | GLY | PRO | GLU | ALA | LYS | GLY | PHE | ALA | |
| 11 | GLU | LYS | SER | ILE | GLU | ILE | ALA | ARG | GLY | ILE | |
| 12 | LYS | ALA | ARG | TYR | TYR | THR | GLY | ASN | GLU | PRO | |
| 13 | THR | LYS | ASP | ASP | LEU | LYS | ALA | SER | VAL | LYS | |
| 14 | GLU | VAL | LEU | LYS | LEU | TYR | LYS | ALA | MET | SER | |
| 15 | ASP | ALA | GLY | LYS | ALA | ASP | PHE | GLY | LYS | GLN | |
| 16 | PHE | PRO | PHE | LEU | ALA | LYS | VAL | PHE | GLU | SER | |
| 17 | GLY | LYS | ALA | ALA | LYS | PHE | ALA | GLY | GLU | ASN |
Samples:
Na-FAR-1: rNa-FAR-1, [U-99% 13C; U-99% 15N], 50.0 mM; H2O 95%; D2O 5%; sodium chloride 50 mM; NaPi 20 mM
apoNaFAR-1: ionic strength: 0.070 M; pH: 7.200; pressure: 1.000 atm; temperature: 311.000 K
CondSet2: ionic strength: 0.320 M; pH: 7.200; pressure: 1.000 atm; temperature: 311.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | Na-FAR-1 | isotropic | apoNaFAR-1 |
| C HSQC3 (h[C]_H.through-space) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| CBCACONH3 (H[N[co[{CA|ca[C]}]]]) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| HNCACO3 (H[N[ca[CO]]]) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| HcccoNH3 (HccoNH) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D C(CO)NH | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D HNCACB | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D HNCO | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D HCCH-TOCSY | Na-FAR-1 | isotropic | apoNaFAR-1 |
| hCCH TOCSY3 (hC_CH.relayed) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D HCCH-COSY | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D 1H-15N NOESY | Na-FAR-1 | isotropic | apoNaFAR-1 |
| 3D 1H-13C NOESY | Na-FAR-1 | isotropic | apoNaFAR-1 |
| CBHE (hbCBcgcdceHE) | Na-FAR-1 | isotropic | apoNaFAR-1 |
| CBHD (hbCBcgcdHD) | Na-FAR-1 | isotropic | apoNaFAR-1 |
Software:
ANALYSIS v2.0, CCPN - data analysis
CcpNmr_Entry_Completion_Interface v2.1, PDBe & CCPN - data deposition
DANGLE v1.1, Cheung & Broadhurst - secondary structure prediction
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts