BMRB Entry 18315
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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/BMR18315
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Title: NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2l3b conformation) PubMed: 22474372
Deposition date: 2012-03-06 Original release date: 2012-05-08
Authors: Wang, Feng; Marshall, Christopher; Yamamoto, Kazuo; Li, Guang-Yao; Gasmi-Seabrook, Genevieve; Okada, Hitoshi; Mak, Tak; Ikura, Mitsuhiko
Citation: Wang, Feng; Marshall, Christopher; Yamamoto, Kazuo; Li, Guang-Yao; Gasmi-Seabrook, Genevieve; Okada, Hitoshi; Mak, Tak; Ikura, Mitsuhiko. "Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment." Proc. Natl. Acad. Sci. U.S.A. 109, 6078-6083 (2012).
Assembly members:
KIX, polymer, 87 residues, 10353.954 Da.
CR2C-CR3, polymer, 52 residues, 5208.538 Da.
Natural source: Common Name: House 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):
KIX: GVRKGWHEHVTQDLRSHLVH
KLVQAIFPTPDPAALKDRRM
ENLVAYAKKVEGDMYESANS
RDEYYHLLAEKIYKIQKELE
EKRRSRL
CR2C-CR3: GSMSHYGNQTLQDLLTSDSL
SHSDGGGSGGGSGGGSLECD
MESIIRSELMDA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 512 |
| 15N chemical shifts | 124 |
| 1H chemical shifts | 859 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KIX | 1 |
| 2 | FOXO3a | 2 |
Entities:
Entity 1, KIX 87 residues - 10353.954 Da.
Mouse CBP KIX domain G586-L672
| 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, FOXO3a 52 residues - 5208.538 Da.
GS: from expression vector MSHYGNQTLQDLLTSDSLSHSD: FOXO3a CR2C M462-D483 GGGSGGGSGGGS: Linker LECDMESIIRSELMDA: FOXO3a CR3 L620-A635
| 1 | GLY | SER | MET | SER | HIS | TYR | GLY | ASN | GLN | THR | ||||
| 2 | LEU | GLN | ASP | LEU | LEU | THR | SER | ASP | SER | LEU | ||||
| 3 | SER | HIS | SER | ASP | GLY | GLY | GLY | SER | GLY | GLY | ||||
| 4 | GLY | SER | GLY | GLY | GLY | SER | LEU | GLU | CYS | ASP | ||||
| 5 | MET | GLU | SER | ILE | ILE | ARG | SER | GLU | LEU | MET | ||||
| 6 | ASP | ALA |
Samples:
sample_1: KIX, [U-100% 13C; U-100% 15N], 0.6 mM; FOXO3a 0.6 mM; MES 20 mM; sodium chloride 50 mM; DTT 1 mM; H2O 90%; D2O 10%
sample_2: KIX, [U-100% 13C; U-100% 15N], 0.6 mM; FOXO3a 0.6 mM; MES 20 mM; sodium chloride 50 mM; DTT 1 mM; D2O 100%
sample_3: FOXO3a, [U-100% 13C; U-100% 15N], 0.6 mM; KIX 0.6 mM; MES 20 mM; sodium chloride 50 mM; DTT 1 mM; H2O 90%; D2O 10%
sample_4: FOXO3a, [U-100% 13C; U-100% 15N], 0.6 mM; KIX 0.6 mM; MES 20 mM; sodium chloride 50 mM; DTT 1 mM; D2O 100%
sample_conditions_1: ionic strength: 0.05 M; pH: 6; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_3 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_4 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_4 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_4 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure solution
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 16851 18314 18694 18695 18314 |
| PDB | |
| DBJ | BAE06125 BAG65526 BAI45616 |
| GB | AAB28651 AAC08447 AAC51331 AAC51770 AAH72594 |
| PRF | 1923401A |
| REF | NP_001020603 NP_001073315 NP_001157494 NP_001247644 NP_004371 |
| SP | P45481 Q6JHU9 Q92793 |
| TPG | DAA15549 |
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts