BMRB Entry 15945
Chem Shift validation: LACS
BMRB Entry DOI: doi:10.13018/BMR15945
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Citation: Riedinger, Christiane; Endicott, Jane; Kemp, Stuart; Smyth, Lynette; Watson, Anna; Valeur, Eric; Golding, Bernard; Griffin, Roger; Hardcastle, Ian; Noble, Martin; McDonnell, James. "Analysis of chemical shift changes reveals the binding modes of isoindolinone inhibitors of the MDM2-p53 interaction" J. Am. Chem. Soc. 130, 16038-16044 (2008).
PubMed: 18959403
Assembly members:
human_mdm2_N-terminal_domain, polymer, 114 residues, 12931.8 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: pGEX 6P1
Entity Sequences (FASTA):
human_mdm2_N-terminal_domain: GPLGSSQIPASEQETLVRPK
PLLLKLLKSVGAQKDTYTMK
EVLFYLGQYIMTKRLYDEKQ
QHIVYCSNDLLGDLFGVPSF
SVKEHRKIYTMIYRNLVVVN
QQESSDSGTSVSEN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 203 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 193 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | N-terminal domain, p53 binding domain | 1 |
Entities:
Entity 1, N-terminal domain, p53 binding domain 114 residues - 12931.8 Da.
residues 12-16 correspond to the remnant of a GST-tag
| 1 | GLY | PRO | LEU | GLY | SER | SER | GLN | ILE | PRO | ALA | ||||
| 2 | SER | GLU | GLN | GLU | THR | LEU | VAL | ARG | PRO | LYS | ||||
| 3 | PRO | LEU | LEU | LEU | LYS | LEU | LEU | LYS | SER | VAL | ||||
| 4 | GLY | ALA | GLN | LYS | ASP | THR | TYR | THR | MET | LYS | ||||
| 5 | GLU | VAL | LEU | PHE | TYR | LEU | GLY | GLN | TYR | ILE | ||||
| 6 | MET | THR | LYS | ARG | LEU | TYR | ASP | GLU | LYS | GLN | ||||
| 7 | GLN | HIS | ILE | VAL | TYR | CYS | SER | ASN | ASP | LEU | ||||
| 8 | LEU | GLY | ASP | LEU | PHE | GLY | VAL | PRO | SER | PHE | ||||
| 9 | SER | VAL | LYS | GLU | HIS | ARG | LYS | ILE | TYR | THR | ||||
| 10 | MET | ILE | TYR | ARG | ASN | LEU | VAL | VAL | VAL | ASN | ||||
| 11 | GLN | GLN | GLU | SER | SER | ASP | SER | GLY | THR | SER | ||||
| 12 | VAL | SER | GLU | ASN |
Samples:
mdm2_17-125: H2O 90%; D2O 5%; DMSO 5%; NaCl 50 mM; Sodium Phosphate pH 6.5 25 mM; Mono-Thioglycerol 0.02%; Sodium Azide 0.02%; glycerol 5%; human_mdm2_N-terminal_domain
sample_conditions: ionic strength: 125 mM; pH: 6.5; pressure: 1 atm; temperature: 293.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | mdm2_17-125 | isotropic | sample_conditions |
| 3D HNCA | mdm2_17-125 | isotropic | sample_conditions |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView v5.2.2, bruce johnson, onemoonscientific - chemical shift assignment
NMR spectrometers:
- Bruker DMX 500 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks