BMRB Entry 51378

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51378

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Title:
N-terminal domain of human HSP90 alpha1 form in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide
Deposition date:
2022-03-22
Original release date:
2022-07-12
Authors:
Henot, Faustine; Crublet, Elodie; Frech, Matthias; Boisbouvier, Jerome
Citation:

Citation: Henot, Faustine; Crublet, Elodie; Frech, Matthias; Boisbouvier, Jerome. "NMR assignment of human HSP90 N-terminal domain bound to a long residence time resorcinol ligand"  Biomol. NMR Assignments 16, 257-266 (2022).
PubMed: 35701717

Assembly members:

Assembly members:
entity_1, polymer, 236 residues, Formula weight is not available
entity_6FJ, non-polymer, 424.382 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: pET-28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FENLYFQGDQPMEEEEVETF AFQAEIAQLMSLIINTFYSN KEIFLRELISNSSDALDKIR YESLTDPSKLDSGKELHINL IPNKQDRTLTIVDTGIGMTK ADLINNLGTIAKSGTKAFME ALQAGADISMIGQFGVGFYS AYLVAEKVTVITKHNDDEQY AWESSAGGSFTVRTDTGEPM GRGTKVILHLKEDQTEYLEE RRIKEIVKKHSQFIGYPITL FVEKERDKEVSDDEAE

Data sets:
Data typeCount
13C chemical shifts673
15N chemical shifts200
1H chemical shifts460

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1N-terminal domain of human HSP90 alpha form1
2long residence time resorcinol inhibitor2

Entities:

Entity 1, N-terminal domain of human HSP90 alpha form 236 residues - Formula weight is not available

1   PHEGLUASNLEUTYRPHEGLNGLYASPGLN
2   PROMETGLUGLUGLUGLUVALGLUTHRPHE
3   ALAPHEGLNALAGLUILEALAGLNLEUMET
4   SERLEUILEILEASNTHRPHETYRSERASN
5   LYSGLUILEPHELEUARGGLULEUILESER
6   ASNSERSERASPALALEUASPLYSILEARG
7   TYRGLUSERLEUTHRASPPROSERLYSLEU
8   ASPSERGLYLYSGLULEUHISILEASNLEU
9   ILEPROASNLYSGLNASPARGTHRLEUTHR
10   ILEVALASPTHRGLYILEGLYMETTHRLYS
11   ALAASPLEUILEASNASNLEUGLYTHRILE
12   ALALYSSERGLYTHRLYSALAPHEMETGLU
13   ALALEUGLNALAGLYALAASPILESERMET
14   ILEGLYGLNPHEGLYVALGLYPHETYRSER
15   ALATYRLEUVALALAGLULYSVALTHRVAL
16   ILETHRLYSHISASNASPASPGLUGLNTYR
17   ALATRPGLUSERSERALAGLYGLYSERPHE
18   THRVALARGTHRASPTHRGLYGLUPROMET
19   GLYARGGLYTHRLYSVALILELEUHISLEU
20   LYSGLUASPGLNTHRGLUTYRLEUGLUGLU
21   ARGARGILELYSGLUILEVALLYSLYSHIS
22   SERGLNPHEILEGLYTYRPROILETHRLEU
23   PHEVALGLULYSGLUARGASPLYSGLUVAL
24   SERASPASPGLUALAGLU

Entity 2, long residence time resorcinol inhibitor - C21 H17 F N4 O5 - 424.382 Da.

1   6FJ

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