BMRB Entry 52212

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52212

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Title:
1H 15N assignments for the C384A mutant of the C-terminus of UGT1A in the presence of UM28
Deposition date:
2023-11-22
Original release date:
2024-01-16
Authors:
Osborne, Michael; Borden, Katherine
Citation:

Citation: Osborne, Michael; Sulekha, Anamika; Culjkovic-Kraljacic, Biljana; Gasiorek, Jadwiga; Ruediger, Edward; Jolicouer, Eric; Marinier, Anne; Assouline, Sarit; Borden, Katherine. "Medicinal Chemistry and NMR Driven Discovery of Novel UDP-glucuronosyltransferase 1A Inhibitors That Overcome Therapeutic Resistance in Cells"  J. Mol. Biol. 436, 168378-168378 (2024).
PubMed: 38043731

Assembly members:

Assembly members:
entity_1, polymer, 167 residues, Formula weight is not available
entity_2, non-polymer, 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: pET-28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GKPLSQEFEAYINASGEHGI VVFSLGSMVSEIPEKKAMAI ADALGKIPQTVLWRYTGTRP SNLANNTILVKWLPQNDLLG HPMTRAFITHAGSHGVYESI ANGVPMVMMPLFGDQMDNAK RMETKGAGVTLNVLEMTSED LENALKAVINDKSYKENIMR LSSLHKD

Data sets:
Data typeCount
15N chemical shifts122
1H chemical shifts122

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Ct of UGT1A1
2UM282

Entities:

Entity 1, Ct of UGT1A 167 residues - Formula weight is not available

1   GLYLYSPROLEUSERGLNGLUPHEGLUALA
2   TYRILEASNALASERGLYGLUHISGLYILE
3   VALVALPHESERLEUGLYSERMETVALSER
4   GLUILEPROGLULYSLYSALAMETALAILE
5   ALAASPALALEUGLYLYSILEPROGLNTHR
6   VALLEUTRPARGTYRTHRGLYTHRARGPRO
7   SERASNLEUALAASNASNTHRILELEUVAL
8   LYSTRPLEUPROGLNASNASPLEULEUGLY
9   HISPROMETTHRARGALAPHEILETHRHIS
10   ALAGLYSERHISGLYVALTYRGLUSERILE
11   ALAASNGLYVALPROMETVALMETMETPRO
12   LEUPHEGLYASPGLNMETASPASNALALYS
13   ARGMETGLUTHRLYSGLYALAGLYVALTHR
14   LEUASNVALLEUGLUMETTHRSERGLUASP
15   LEUGLUASNALALEULYSALAVALILEASN
16   ASPLYSSERTYRLYSGLUASNILEMETARG
17   LEUSERSERLEUHISLYSASP

Entity 2, UM28 - C18H21F3N3O3 - Formula weight is not available

Related Database Links:

NCBI NP_009051

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