BMRB Entry 18314

Title:
NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2b3l 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:

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:

Assembly members:
entity_1, polymer, 87 residues, 10353.954 Da.
entity_2, polymer, 52 residues, 5208.538 Da.

Natural source:

Natural source:   Common Name: Hosue mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21b

Experimental source:

Natural source:   Common Name: Hosue mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21b

Data sets:
Data typeCount
13C chemical shifts512
15N chemical shifts124
1H chemical shifts860

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1FOXO3a1
2KIX2

Entities:

Entity 1, FOXO3a 87 residues - 10353.954 Da.

Mouse CBP G586-L672

1   GLYVALARGLYSGLYTRPHISGLUHISVAL
2   THRGLNASPLEUARGSERHISLEUVALHIS
3   LYSLEUVALGLNALAILEPHEPROTHRPRO
4   ASPPROALAALALEULYSASPARGARGMET
5   GLUASNLEUVALALATYRALALYSLYSVAL
6   GLUGLYASPMETTYRGLUSERALAASNSER
7   ARGASPGLUTYRTYRHISLEULEUALAGLU
8   LYSILETYRLYSILEGLNLYSGLULEUGLU
9   GLULYSARGARGSERARGLEU

Entity 2, KIX 52 residues - 5208.538 Da.

GS: from expression vector. MSHYGNQTLQDLLTSDSLSHSD (FOXO3a CR2C M462-D483). GGGSGGGSGGGS (linker ). LECDMESIIRSELMDA (FOXO3a CR3 L620-A635).

1   GLYSERMETSERHISTYRGLYASNGLNTHR
2   LEUGLNASPLEULEUTHRSERASPSERLEU
3   SERHISSERASPGLYGLYGLYSERGLYGLY
4   GLYSERGLYGLYGLYSERLEUGLUCYSASP
5   METGLUSERILEILEARGSERGLULEUMET
6   ASPALA

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: FOXO3a3, [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: FOXO3a3, [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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
3D HCCH-TOCSYsample_4isotropicsample_conditions_1
3D 1H-13C NOESYsample_4isotropicsample_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 18315 18694 18695 18315
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
AlphaFold P45481

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks