BMRB Entry 36770

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36770
MolProbity Validation Chart

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Title:
NMR solution structures of BRD4 ET domain in complex with ASXL1 peptide
Deposition date:
2025-07-04
Original release date:
2026-06-04
Authors:
Zeng, L.; Zhou, M.-M., .
Citation:

Citation: Selvam, Karthik; Lu, Shuang; Messmer, Clemence; Pang, Yakun; Biswas, Soumi; Khalil, Moustafa; Zhang, Peng; Tulaiha, Rima; Zhou, Ming-Ming; Kitamura, Toshio; Lauberth, Shannon; Blanco, M; Yang, Feng-Chun; Affar, El; Zhao, Zibo; Zeng, Lei; Wang, Lu; Kutateladze, Tatiana. "Recruitment of BRD4 to the ASXL1 genomic targets depends on the extra-terminal domain of BRD4."  Nat. Commun. 17, 2852-2852 (2026).
PubMed: 41702923

Assembly members:

Assembly members:
Bromodomain-containing protein 4, polymer, 83 residues, 9745.136 Da.
Polycomb group protein ASXL1, polymer, 15 residues, 1675.113 Da.

Natural source:

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: not available   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bromodomain-containing protein 4: SEEEDKCKPMSYEEKRQLSL DINKLPGEKLGRVVHIIQSR EPSLKNSNPDEIEIDFETLK PSTLRELERYVTSCLRKKRK PQA
Polycomb group protein ASXL1: XKVPPIRIQLSRIKP

Data sets:
Data typeCount
13C chemical shifts344
15N chemical shifts82
1H chemical shifts689

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 83 residues - 9745.136 Da.

1   SERGLUGLUGLUASPLYSCYSLYSPROMET
2   SERTYRGLUGLULYSARGGLNLEUSERLEU
3   ASPILEASNLYSLEUPROGLYGLULYSLEU
4   GLYARGVALVALHISILEILEGLNSERARG
5   GLUPROSERLEULYSASNSERASNPROASP
6   GLUILEGLUILEASPPHEGLUTHRLEULYS
7   PROSERTHRLEUARGGLULEUGLUARGTYR
8   VALTHRSERCYSLEUARGLYSLYSARGLYS
9   PROGLNALA

Entity 2, entity_2 15 residues - 1675.113 Da.

1   ACELYSVALPROPROILEARGILEGLNLEU
2   SERARGILELYSPRO

Samples:

sample_1: Bromodomain-containing protein 4, [U-13C; U-15N], mM; Polycomb group protein ASXL1, [U-13C], mM; DTT 2 mM; sodium chloride 137 mM; sodium phosphate 10 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: Bromodomain-containing protein 4, [U-13C; U-15N], mM; Polycomb group protein ASXL1, [U-13C], mM; DTT 2 mM; sodium chloride 137 mM; sodium phosphate 10 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
3D 1H-13C filtered-NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C filtered-NOESY aromaticsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - refinement

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRView, Johnson, One Moon Scientific - data analysis

TopSpin, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz
  • Bruker AVANCE NEO 800 MHz

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