BMRB Entry 34583

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PDB ID: 7b9x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34583
MolProbity Validation Chart

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Title:
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Deposition date:
2020-12-14
Original release date:
2022-01-07
Authors:
Orts, J.; Torres, F.; Milbradt, A.; Walser, R.
Citation:

Citation: Torres, Felix; Walser, Reto; Kaderli, Janina; Rossi, Emanuele; Bobby, Romel; Packer, Martin; Sarda, Sunil; Walker, Graeme; Hitchin, James; Milbradt, Alexander; Orts, Julien. "NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24"  J. Med. Chem. 65, 5565-5574 (2022).
PubMed: 35357834

Assembly members:

Assembly members:
entity_1, polymer, 106 residues, 12578.429 Da.
entity_T52, non-polymer, 615.718 Da.

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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TPIDKRKCERLLLFLYCHEM SLAFQDPVPLTVPDYYKIIK NPMDLSTIKKRLQEDYSMYS KPEDFVADFRLIFQNCAEFN EPDSEVANAGIKLENYFEEL LKNLYP

Data sets:
Data typeCount
1H chemical shifts62

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 106 residues - 12578.429 Da.

1   THRPROILEASPLYSARGLYSCYSGLUARG
2   LEULEULEUPHELEUTYRCYSHISGLUMET
3   SERLEUALAPHEGLNASPPROVALPROLEU
4   THRVALPROASPTYRTYRLYSILEILELYS
5   ASNPROMETASPLEUSERTHRILELYSLYS
6   ARGLEUGLNGLUASPTYRSERMETTYRSER
7   LYSPROGLUASPPHEVALALAASPPHEARG
8   LEUILEPHEGLNASNCYSALAGLUPHEASN
9   GLUPROASPSERGLUVALALAASNALAGLY
10   ILELYSLEUGLUASNTYRPHEGLUGLULEU
11   LEULYSASNLEUTYRPRO

Entity 2, unit_2 - C30 H39 N4 O8 S - 615.718 Da.

1   T52