BMRB Entry 17405
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17405
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Title: IPSE/alpha-1 PubMed: 21516468
Deposition date: 2011-01-11 Original release date: 2011-05-03
Authors: Meyer, N. Helge; Sattler, Michael
Citation: Meyer, N. Helge; Schramm, Gabriele; Sattler, Michael. "1H, 13C and 15N chemical shift assignments of IPSENLS." Biomol. NMR Assignments 5, 225-227 (2011).
Assembly members:
IPSE/alpha-1, polymer, 106 residues, 11967 Da.
Natural source: Common Name: Flatworm Taxonomy ID: 6183 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Schistosoma mansoni
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
IPSE/alpha-1: GADSCKYCLQLYDETYERGS
YIEVYKSVGSLSPPWTPGSV
CVPFVNDTKRERPYWYLFDN
VNYTGRITGLGHGTCIDDFT
KSGFKGISSIKRCIQTKDGK
VECINQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 475 |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 716 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | IPSE | 1 |
Entities:
Entity 1, IPSE 106 residues - 11967 Da.
| 1 | GLY | ALA | ASP | SER | CYS | LYS | TYR | CYS | LEU | GLN | ||||
| 2 | LEU | TYR | ASP | GLU | THR | TYR | GLU | ARG | GLY | SER | ||||
| 3 | TYR | ILE | GLU | VAL | TYR | LYS | SER | VAL | GLY | SER | ||||
| 4 | LEU | SER | PRO | PRO | TRP | THR | PRO | GLY | SER | VAL | ||||
| 5 | CYS | VAL | PRO | PHE | VAL | ASN | ASP | THR | LYS | ARG | ||||
| 6 | GLU | ARG | PRO | TYR | TRP | TYR | LEU | PHE | ASP | ASN | ||||
| 7 | VAL | ASN | TYR | THR | GLY | ARG | ILE | THR | GLY | LEU | ||||
| 8 | GLY | HIS | GLY | THR | CYS | ILE | ASP | ASP | PHE | THR | ||||
| 9 | LYS | SER | GLY | PHE | LYS | GLY | ILE | SER | SER | ILE | ||||
| 10 | LYS | ARG | CYS | ILE | GLN | THR | LYS | ASP | GLY | LYS | ||||
| 11 | VAL | GLU | CYS | ILE | ASN | GLN |
Samples:
sample_1: IPSE/alpha-1, [U-13C; U-15N], 1 mM; IPSE/alpha-1, [U-10% 13C], 1 mM
sample_conditions_1: ionic strength: 0.2 M; pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance III 750 MHz
- Bruker Avance III 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts