BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26867

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

Data sets:
Data typeCount
13C chemical shifts476
15N chemical shifts118
1H chemical shifts636

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CREB-BINDING PROTEIN1
2TRANSCRIPTION FACTOR P652

Entities:

Entity 1, CREB-BINDING PROTEIN 87 residues - 10339.847 Da.

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

Entity 2, TRANSCRIPTION FACTOR P65 33 residues - 3373.5739 Da.

1   GLYSERPROGLYTYRPROASNGLYLEULEU
2   SERGLYASPGLUASPPHESERSERILEALA
3   ASPMETASPPHESERALALEULEUSERGLN
4   ILESERSER

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:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1solutionsample_conditions_1
HNCOsample_1solutionsample_conditions_1
HNCACBsample_1solutionsample_conditions_1
CCC-TOCSYsample_1solutionsample_conditions_1
HCC-TOCSYsample_1solutionsample_conditions_1
1H-13C HSQCsample_2solutionsample_conditions_1
HCCH-COSYsample_2solutionsample_conditions_1
Intermolecular NOESYsample_2solutionsample_conditions_1
1H-15N HSQCsample_3solutionsample_conditions_1
HNCOsample_3solutionsample_conditions_1
HNCACBsample_3solutionsample_conditions_1
HCCONHsample_3solutionsample_conditions_1
1H-13C HSQCsample_4solutionsample_conditions_1
Intermolecular NOESYsample_4solutionsample_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

Related Database Links:

UNP CBP_MOUSE TF65_HUMAN

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts