BMRB Entry 52522

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52522

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Title:
Backbone and sidechain assignments of hSTING155-341 G230A/H232R/R293Q in complex with THIQi
Deposition date:
2024-06-25
Original release date:
2025-05-22
Authors:
Xie, Tao; Ruzanov, Max; Critton, David; Merselis, Leidy; Naglich, Joseph; Sack, Jack; Zhang, Ping; Xie, Chunshan; Tredup, Jeffrey; Stine, Laurel; Messier, Cameron; Caceres-Cortes, Janet; Mueller, Luciano; Dyckman, Alaric; Newitt, John; Wilson, Stephen
Citation:

Citation: Xie, Tao; Ruzanov, Max; Critton, David; Merselis, Leidy; Naglich, Joseph; Sack, John; Zhang, Ping; Xie, Chunshan; Tredup, Jeffrey; Stine, Laurel; Messier, Cameron; Hope, David; Caceres-Cortes, Janet; Mueller, Luciano; Dyckman, Alaric; Newitt, John; Choudhury, Asmita; Wilson, Stephen. "Orthosteric STING inhibition elucidates molecular correction of SAVI STING"  Nat. Commun. 16, 5695-5695 (2025).
PubMed: 40595544

Assembly members:

Assembly members:
entity_1, polymer, 192 residues, Formula weight is not available
entity_2, non-polymer, 491.97 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: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGGGSVAHGLAWSYYIGYLR LILPELQARIRTYNQHYNNL LRGAVSQRLYILLPLDCGVP DNLSMADPNIRFLDKLPQQT ADRAGIKDRVYSNSIYELLE NGQRAGTCVLEYATPLQTLF AMSQYSQAGFSREDRLEQAK LFCQTLEDILADAPESQNNC RLIAYQEPADDSSFSLSQEV LRHLRQEEKEEV

Data sets:
Data typeCount
13C chemical shifts532
15N chemical shifts168
1H chemical shifts696

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1hSTING (155-341) G230A/H232R/R293Q, subunit 11
2hSTING (155-341) G230A/H232R/R293Q, subunit 21
3THIQi, subunit 32
4THIQi, subunit 42

Entities:

Entity 1, hSTING (155-341) G230A/H232R/R293Q, subunit 1 192 residues - Formula weight is not available

1   GLYGLYGLYGLYSERVALALAHISGLYLEU
2   ALATRPSERTYRTYRILEGLYTYRLEUARG
3   LEUILELEUPROGLULEUGLNALAARGILE
4   ARGTHRTYRASNGLNHISTYRASNASNLEU
5   LEUARGGLYALAVALSERGLNARGLEUTYR
6   ILELEULEUPROLEUASPCYSGLYVALPRO
7   ASPASNLEUSERMETALAASPPROASNILE
8   ARGPHELEUASPLYSLEUPROGLNGLNTHR
9   ALAASPARGALAGLYILELYSASPARGVAL
10   TYRSERASNSERILETYRGLULEULEUGLU
11   ASNGLYGLNARGALAGLYTHRCYSVALLEU
12   GLUTYRALATHRPROLEUGLNTHRLEUPHE
13   ALAMETSERGLNTYRSERGLNALAGLYPHE
14   SERARGGLUASPARGLEUGLUGLNALALYS
15   LEUPHECYSGLNTHRLEUGLUASPILELEU
16   ALAASPALAPROGLUSERGLNASNASNCYS
17   ARGLEUILEALATYRGLNGLUPROALAASP
18   ASPSERSERPHESERLEUSERGLNGLUVAL
19   LEUARGHISLEUARGGLNGLUGLULYSGLU
20   GLUVAL

Entity 2, THIQi, subunit 3 - C28H26ClNO5 - 491.97 Da.

1   1

Samples:

sample_1: hSTING (155-341) G230A/H232R/R293Q, [U-100% 13C; U-100% 15N], 0.8 mM; THIQi 0.8 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.3; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

TOPSPIN - collection

SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz
  • Bruker AVANCE NEO 600 MHz

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