BMRB Entry 7422
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7422
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Title: Pseudo Contact shifts and RDCs of Galectin-3 with C-terminal LBT tagged at a proton frequency of 600MHz. PubMed: 18413860
Deposition date: 2008-04-01 Original release date: 2008-06-30
Authors: Zhuang, Tiandi; Lee, Han-seung; Imperiali, Barbara; Prestegard, James
Citation: Zhuang, Tiandi; Lee, Han-seung; Imperiali, Barbara; Prestegard, James. "Structure determination of a Galectin-3-carbohydrate complex using paramagnetism-based NMR constraints" Protein Sci. 17, 1220-1231 (2008).
Assembly members:
Galectin-3-LBT, polymer, 155 residues, Formula weight is not available
LU, non-polymer, 174.967 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 Vector: pET29-a
Entity Sequences (FASTA):
Galectin-3-LBT: MLIVPYNLPLPGGVVPRMLI
TILGTVKPNANRIALDFQRG
NDVAFHFNPRFNERNRRVIV
CNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVA
VNDAHLLQYNHRVKKLNEIS
KLGISGDIDLTSASYTMIYI
DTNNDGWYEGDELLA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 34 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Galectin-3-LBT | 1 |
| 2 | LUTETIUM ion | 2 |
Entities:
Entity 1, Galectin-3-LBT 155 residues - Formula weight is not available
| 1 | MET | LEU | ILE | VAL | PRO | TYR | ASN | LEU | PRO | LEU | ||||
| 2 | PRO | GLY | GLY | VAL | VAL | PRO | ARG | MET | LEU | ILE | ||||
| 3 | THR | ILE | LEU | GLY | THR | VAL | LYS | PRO | ASN | ALA | ||||
| 4 | ASN | ARG | ILE | ALA | LEU | ASP | PHE | GLN | ARG | GLY | ||||
| 5 | ASN | ASP | VAL | ALA | PHE | HIS | PHE | ASN | PRO | ARG | ||||
| 6 | PHE | ASN | GLU | ARG | ASN | ARG | ARG | VAL | ILE | VAL | ||||
| 7 | CYS | ASN | THR | LYS | LEU | ASP | ASN | ASN | TRP | GLY | ||||
| 8 | ARG | GLU | GLU | ARG | GLN | SER | VAL | PHE | PRO | PHE | ||||
| 9 | GLU | SER | GLY | LYS | PRO | PHE | LYS | ILE | GLN | VAL | ||||
| 10 | LEU | VAL | GLU | PRO | ASP | HIS | PHE | LYS | VAL | ALA | ||||
| 11 | VAL | ASN | ASP | ALA | HIS | LEU | LEU | GLN | TYR | ASN | ||||
| 12 | HIS | ARG | VAL | LYS | LYS | LEU | ASN | GLU | ILE | SER | ||||
| 13 | LYS | LEU | GLY | ILE | SER | GLY | ASP | ILE | ASP | LEU | ||||
| 14 | THR | SER | ALA | SER | TYR | THR | MET | ILE | TYR | ILE | ||||
| 15 | ASP | THR | ASN | ASN | ASP | GLY | TRP | TYR | GLU | GLY | ||||
| 16 | ASP | GLU | LEU | LEU | ALA |
Entity 2, LUTETIUM ion - Lu - 174.967 Da.
| 1 | LU |
Samples:
Diamagnetic_sample: Galectin-3-LBT, [U-15N], 0.3 mM; MES 50 mM; sodium chloride 50 mM; Lutetium chloride 0.3 mM
Diamagnetic_condition: ionic strength: 50 mM; pH: 5.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | Diamagnetic_sample | isotropic | Diamagnetic_condition |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
VNMRJ, Varian - collection
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
NMR spectrometers:
- Varian INOVA 600 MHz