BMRB Entry 51472

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51472

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Title:
Backbone amide chemical shifts for PBRM1-BD2
Deposition date:
2022-05-24
Original release date:
2022-10-19
Authors:
Peterson, Francis; Shishodia, Shifali; Volkman, Brian; Smith, Brian
Citation:

Citation: Shishodia, Shifali; Nunez, Raymundo; Strohmier, Brayden; Bursch, Karina; Goetz, Christopher; Olp, Michael; Jensen, Davin; Fenske, Tyler; Ordonez-Rubiano, Sandra; Blau, Maya; Roach, Mallory; Peterson, Francis; Volkman, Brian; Dykhuizen, Emily; Smith, Brian. "Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening"  J. Med. Chem. 65, 13714-13735 (2022).
PubMed: 36227159

Assembly members:

Assembly members:
entity_1, polymer, 116 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: SMSPAYLKEILEQLLEAIVV ATNPSGRLISELFQKLPSKV QYPDYYAIIKEPIDLKTIAQ RIQNGSYKSIHAMAKDIDLL AKNAKTYNEPGSQVFKDANS IKKIFYMKKAEIEHHE

Data sets:
Data typeCount
15N chemical shifts106
1H chemical shifts106

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1PBRM1-BD21

Entities:

Entity 1, PBRM1-BD2 116 residues - Formula weight is not available

1   SERMETSERPROALATYRLEULYSGLUILE
2   LEUGLUGLNLEULEUGLUALAILEVALVAL
3   ALATHRASNPROSERGLYARGLEUILESER
4   GLULEUPHEGLNLYSLEUPROSERLYSVAL
5   GLNTYRPROASPTYRTYRALAILEILELYS
6   GLUPROILEASPLEULYSTHRILEALAGLN
7   ARGILEGLNASNGLYSERTYRLYSSERILE
8   HISALAMETALALYSASPILEASPLEULEU
9   ALALYSASNALALYSTHRTYRASNGLUPRO
10   GLYSERGLNVALPHELYSASPALAASNSER
11   ILELYSLYSILEPHETYRMETLYSLYSALA
12   GLUILEGLUHISHISGLU

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