BMRB Entry 50946

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50946

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Title:
Structure of Alpha-1-acid Glycoprotein bound to UCN-01 and complete backbone assignments and NMR
Deposition date:
2021-05-19
Original release date:
2021-11-23
Authors:
Landin, Erik; Williams, Christopher; Crump, Matthew
Citation:

Citation: Landin, Erik; Williams, Christopher; Ryan, Sara; Bochel, Alice; Akter, Nahida; Redfield, Christina; Sessions, Richard; Dedi, Neesha; Taylor, Richard; Crump, Matthew. "The structural basis for high affinity binding of Alpha-1-acid glycoprotein to the potent anti-tumour compound UCN-01"  J. Biol. Chem. 297, 101392-101392 (2021).
PubMed: 34758357

Assembly members:

Assembly members:
entity_1, polymer, 174 residues, Formula weight is not available
entity_UCN, non-polymer, 482.530 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   Vector: pOPINF

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPQIPLCANLVPVPITNATL DRITGKWFYIASAFRNEEYN KSVQEIQATFFYFTPNKTED TIFLREYQTRQNQCFYNSSY LNVQRENGTVSRYEGGREHV AHLLFLRDTKTLMFGSYLDD EKNWGLSFYADKPETTKEQL GEFYEALDCLRIPRSDVMYT DWKKDKCEPLEKQH

Data sets:
Data typeCount
13C chemical shifts543
15N chemical shifts164
1H chemical shifts491

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Alpha-1-acid Glycoprotein1
2UCN-012

Entities:

Entity 1, Alpha-1-acid Glycoprotein 174 residues - Formula weight is not available

1   GLYPROGLNILEPROLEUCYSALAASNLEU
2   VALPROVALPROILETHRASNALATHRLEU
3   ASPARGILETHRGLYLYSTRPPHETYRILE
4   ALASERALAPHEARGASNGLUGLUTYRASN
5   LYSSERVALGLNGLUILEGLNALATHRPHE
6   PHETYRPHETHRPROASNLYSTHRGLUASP
7   THRILEPHELEUARGGLUTYRGLNTHRARG
8   GLNASNGLNCYSPHETYRASNSERSERTYR
9   LEUASNVALGLNARGGLUASNGLYTHRVAL
10   SERARGTYRGLUGLYGLYARGGLUHISVAL
11   ALAHISLEULEUPHELEUARGASPTHRLYS
12   THRLEUMETPHEGLYSERTYRLEUASPASP
13   GLULYSASNTRPGLYLEUSERPHETYRALA
14   ASPLYSPROGLUTHRTHRLYSGLUGLNLEU
15   GLYGLUPHETYRGLUALALEUASPCYSLEU
16   ARGILEPROARGSERASPVALMETTYRTHR
17   ASPTRPLYSLYSASPLYSCYSGLUPROLEU
18   GLULYSGLNHIS

Entity 2, UCN-01 - C28 H26 N4 O4 - 482.530 Da.

1   UCN

Related Database Links:

UNP P19652
AlphaFold Q6IB74

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