BMRB Entry 51414

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51414

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Title:
Bromodomain Interactions with Acetylated Histone 4 Peptides in the Tandem Domain BRD4 -- Effects on Domain Dynamics and Internal Flexibility
Deposition date:
2022-04-26
Original release date:
2022-10-11
Authors:
Wernersson, Sven; Romel, Bobby; Flavell, Liz; Milbradt, Alexander; Holdgate, Geoff; Embrey, Kevin; Akke, Mikael
Citation:

Citation: Wernersson, Sven; Bobby, Romel; Flavell, Liz; Milbradt, Alexander; Holdgate, Geoffrey; Embrey, Kevin; Akke, Mikael. "Bromodomain Interactions with Acetylated Histone 4 Peptides in the BRD4 Tandem Domain: Effects on Domain Dynamics and Internal Flexibility"  Biochemistry 61, 2303-2318 (2022).
PubMed: 36215732

Assembly members:

Assembly members:
entity_1, polymer, 120 residues, Formula weight is not available
entity_2, polymer, 16 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: HPAPEKSSKVSEQLKCCSGI LKEMFAKKHAAYAWPFYKPV DVEALGLHDYCDIIKHPMDM STIKSKLEAREYRDAQEFGA DVRLMFSNCYKYNPPDHEVV AMARKLQDVFEMRFAKMPDE
entity_2: SGRGXGGXGLGXGGAX

Data typeCount
15N chemical shifts103
1H chemical shifts103
T1 relaxation values194
T2 relaxation values194
dipole-CSA cross correlation relaxation values93
heteronuclear NOE values194
order parameters97

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BD21
2H4Kac2

Entities:

Entity 1, BD2 120 residues - Formula weight is not available

1   HISPROALAPROGLULYSSERSERLYSVAL
2   SERGLUGLNLEULYSCYSCYSSERGLYILE
3   LEULYSGLUMETPHEALALYSLYSHISALA
4   ALATYRALATRPPROPHETYRLYSPROVAL
5   ASPVALGLUALALEUGLYLEUHISASPTYR
6   CYSASPILEILELYSHISPROMETASPMET
7   SERTHRILELYSSERLYSLEUGLUALAARG
8   GLUTYRARGASPALAGLNGLUPHEGLYALA
9   ASPVALARGLEUMETPHESERASNCYSTYR
10   LYSTYRASNPROPROASPHISGLUVALVAL
11   ALAMETALAARGLYSLEUGLNASPVALPHE
12   GLUMETARGPHEALALYSMETPROASPGLU

Entity 2, H4Kac 16 residues - Formula weight is not available

1   SERGLYARGGLYALYGLYGLYALYGLYLEU
2   GLYALYGLYGLYALAALY

Samples:

sample_1: apo Bromodomain 1 (BD1) of BRD4, [U-100% 13C; U-100% 15N], 0.135 mM; sodium phosphate 20 mM; sodium chloride 100 mM; TCEP 1 mM; H4Kac 0.9 mM

sample_conditions_1: ionic strength: 0.180 M; pH: 6.8; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D CBCANHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1
transverse cross-correlated dipole/CSA relaxationsample_1isotropicsample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMRPipe - processing

Relax - data analysis

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker Avance 600 MHz

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