BMRB Entry 17220
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17220
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Title: Energetics by NMR: Site-specific binding in a positively cooperative system PubMed: 11854486
Deposition date: 2010-09-29 Original release date: 2010-11-10
Authors: Tochtrop, Gregory; Richter, Klaus; Tang, Changguo; Toner, James; Covey, Douglas; Cistola, David
Citation: Tochtrop, Gregory; Richter, Klaus; Tang, Changguo; Toner, James; Covey, Douglas; Cistola, David. "Energetics by NMR: Site-specific binding in a positively cooperative system" Proc. Natl. Acad. Sci. U.S.A. 99, 1847-1852 (2002).
Assembly members:
BABP, polymer, 127 residues, 465.623 Da.
GLYCOCHOLIC ACID, non-polymer, 465.623 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: pMON-hIBABP
Entity Sequences (FASTA):
BABP: AFTGKFEMESEKNYDEFMKL
LGISSDVIEKARNFKIVTEV
QQDGQDFTWSQHYSGGHTMT
NKFTVGKESNIQTMGGKTFK
ATVQMEGGKLVVNFPNYHQT
SEIVGDKLVEVSTIGGVTYE
RVSKRLA
- chemical rates
| Data type | Count |
| binding constants | 3 |
| kinetic rates | 2 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BABP | 1 |
| 2 | GCH | 2 |
Entities:
Entity 1, BABP 127 residues - 465.623 Da.
| 1 | ALA | PHE | THR | GLY | LYS | PHE | GLU | MET | GLU | SER | ||||
| 2 | GLU | LYS | ASN | TYR | ASP | GLU | PHE | MET | LYS | LEU | ||||
| 3 | LEU | GLY | ILE | SER | SER | ASP | VAL | ILE | GLU | LYS | ||||
| 4 | ALA | ARG | ASN | PHE | LYS | ILE | VAL | THR | GLU | VAL | ||||
| 5 | GLN | GLN | ASP | GLY | GLN | ASP | PHE | THR | TRP | SER | ||||
| 6 | GLN | HIS | TYR | SER | GLY | GLY | HIS | THR | MET | THR | ||||
| 7 | ASN | LYS | PHE | THR | VAL | GLY | LYS | GLU | SER | ASN | ||||
| 8 | ILE | GLN | THR | MET | GLY | GLY | LYS | THR | PHE | LYS | ||||
| 9 | ALA | THR | VAL | GLN | MET | GLU | GLY | GLY | LYS | LEU | ||||
| 10 | VAL | VAL | ASN | PHE | PRO | ASN | TYR | HIS | GLN | THR | ||||
| 11 | SER | GLU | ILE | VAL | GLY | ASP | LYS | LEU | VAL | GLU | ||||
| 12 | VAL | SER | THR | ILE | GLY | GLY | VAL | THR | TYR | GLU | ||||
| 13 | ARG | VAL | SER | LYS | ARG | LEU | ALA |
Entity 2, GCH - C26 H43 N O6 - 465.623 Da.
| 1 | GCH |
Samples:
sample_1: GCH, [U-13C; U-15N], 0 – 10 mM; BABP 1.85 mM; potassium phosphate 20 mM; potassium chloride 135 mM; sodium chloride 10 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.20; pressure: ambient atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - data analysis
NMR spectrometers:
- Varian Unity 500 MHz