BMRB Entry 26867
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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/BMR26867
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Title: HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65 PubMed: 28334776
Deposition date: 2016-08-04 Original release date: 2017-03-02
Authors: Lecoq, Lauriane; Raiola, L.; Cyr, N.; Chabot, P.; Arseneault, G.; Omichinski, J.
Citation: Lecoq, Lauriane; Raiola, Luca; Chabot, Philippe; Cyr, Normand; Arseneault, Genevieve; Legault, Pascale; Omichinski, James. "Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kB and transcription regulatory factors" Nucleic Acids Res. 45, 5564-5576 (2017).
Assembly members:
CREB-BINDING_PROTEIN, polymer, 87 residues, 10339.847 Da.
TRANSCRIPTION_FACTOR_P65, polymer, 33 residues, 3373.5739 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CREB-BINDING_PROTEIN: GVRKGWHEHVTQDLRSHLVH
KLVQAIFPTPDPAALKDRRM
ENLVAYAKKVEGDMYESANS
RDEYYHLLAEKIYKIQKELE
EKRRSRL
TRANSCRIPTION_FACTOR_P65: GSPGYPNGLLSGDEDFSSIA
DMDFSALLSQISS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 476 |
| 15N chemical shifts | 118 |
| 1H chemical shifts | 636 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CREB-BINDING PROTEIN | 1 |
| 2 | TRANSCRIPTION FACTOR P65 | 2 |
Entities:
Entity 1, CREB-BINDING PROTEIN 87 residues - 10339.847 Da.
| 1 | GLY | VAL | ARG | LYS | GLY | TRP | HIS | GLU | HIS | VAL | ||||
| 2 | THR | GLN | ASP | LEU | ARG | SER | HIS | LEU | VAL | HIS | ||||
| 3 | LYS | LEU | VAL | GLN | ALA | ILE | PHE | PRO | THR | PRO | ||||
| 4 | ASP | PRO | ALA | ALA | LEU | LYS | ASP | ARG | ARG | MET | ||||
| 5 | GLU | ASN | LEU | VAL | ALA | TYR | ALA | LYS | LYS | VAL | ||||
| 6 | GLU | GLY | ASP | MET | TYR | GLU | SER | ALA | ASN | SER | ||||
| 7 | ARG | ASP | GLU | TYR | TYR | HIS | LEU | LEU | ALA | GLU | ||||
| 8 | LYS | ILE | TYR | LYS | ILE | GLN | LYS | GLU | LEU | GLU | ||||
| 9 | GLU | LYS | ARG | ARG | SER | ARG | LEU |
Entity 2, TRANSCRIPTION FACTOR P65 33 residues - 3373.5739 Da.
| 1 | GLY | SER | PRO | GLY | TYR | PRO | ASN | GLY | LEU | LEU | ||||
| 2 | SER | GLY | ASP | GLU | ASP | PHE | SER | SER | ILE | ALA | ||||
| 3 | ASP | MET | ASP | PHE | SER | ALA | LEU | LEU | SER | GLN | ||||
| 4 | ILE | SER | SER |
Samples:
sample_1: CREB-BINDING PROTEIN, [U-13C; U-15N], 0.8 mM; TRANSCRIPTION FACTOR P65 1.6 mM
sample_2: CREB-BINDING PROTEIN, [U-13C; U-15N], 0.8 mM; TRANSCRIPTION FACTOR P65 1.6 mM
sample_3: CREB-BINDING PROTEIN 1.4 mM; TRANSCRIPTION FACTOR P65, [U-13C; U-15N], 0.7 mM
sample_4: CREB-BINDING PROTEIN 1.4 mM; TRANSCRIPTION FACTOR P65, [U-13C; U-15N], 0.7 mM
sample_conditions_1: ionic strength: 0.0 mM; pH: 6.500; pressure: 1.000 atm; temperature: 300.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | solution | sample_conditions_1 |
| HNCO | sample_1 | solution | sample_conditions_1 |
| HNCACB | sample_1 | solution | sample_conditions_1 |
| CCC-TOCSY | sample_1 | solution | sample_conditions_1 |
| HCC-TOCSY | sample_1 | solution | sample_conditions_1 |
| 1H-13C HSQC | sample_2 | solution | sample_conditions_1 |
| HCCH-COSY | sample_2 | solution | sample_conditions_1 |
| Intermolecular NOESY | sample_2 | solution | sample_conditions_1 |
| 1H-15N HSQC | sample_3 | solution | sample_conditions_1 |
| HNCO | sample_3 | solution | sample_conditions_1 |
| HNCACB | sample_3 | solution | sample_conditions_1 |
| HCCONH | sample_3 | solution | sample_conditions_1 |
| 1H-13C HSQC | sample_4 | solution | sample_conditions_1 |
| Intermolecular NOESY | sample_4 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - collection
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
CcpNmr vany, CCPN - chemical shift assignment
HADDOCK vany, Alexandre Bonvin - data analysis
NMRPIPE vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Varian UnityInova 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts