BMRB Entry 51176

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51176

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Title:
Backbone resonance chemical shift assignment of Apo FTO
Deposition date:
2021-11-10
Original release date:
2021-11-18
Authors:
Khatiwada, Balabhadra; Venditti, Vincenzo
Citation:

Citation: Khatiwada, Balabhadra; Nguyen, Trang; Purslow, Jeffrey; Venditti, Vincenzo. "Solution structure ensemble of human obesity-associated protein FTO reveals druggable surface pockets at the interface between the N- and C-terminal domain"  J. Biol. Chem. 298, 101907-101907 (2022).
PubMed: 35398093

Assembly members:

Assembly members:
entity_1, polymer, 475 residues, 54541 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: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: STPKDDEFYQQWQLKYPKLI LREASSVSEELHKEVQEAFL TLHKHGCLFRDLVRIQGKDL LTPVSRILIGNPGCTYKYLN TRLFTVPWPVKGSNIKHTEA EIAAACETFLKLNDYLQIET IQALEELAAKEKANEDAVPL CMSADFPRVGMGSSYNGQDE VDIKSRAAYNVTLLNFMDPQ KMPYLKEEPYFGMGKMAVSW HHDENLVDRSAVAVYSYSCE GPEEESEDDSHLEGRDPDIW HVGFKISWDIETPGLAIPLH QGDCYFMLDDLNATHQHCVL AGSQPRFSSTHRVAECSTGT LDYILQRCQLALQNVCDDVD NDDVSLKSFEPAVLKQGEEI HNEVEFEWLRQFWFQGNRYR KCTDWWCQPMAQLEALWKKM EGVTNAVLHEVKREGLPVEQ RNEILTAILASLTARQNLRR EWHARCQSRIARTLPADQKP ECRPYWEKDDASMPLPFDLT DIVSELRGQLLEAKP

Data sets:
Data typeCount
13C chemical shifts945
15N chemical shifts273
1H chemical shifts272

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1FTO1

Entities:

Entity 1, FTO 475 residues - 54541 Da.

residue S31 from TEV cleavage site. residues 32-505 actual FTO sequences

1   SERTHRPROLYSASPASPGLUPHETYRGLN
2   GLNTRPGLNLEULYSTYRPROLYSLEUILE
3   LEUARGGLUALASERSERVALSERGLUGLU
4   LEUHISLYSGLUVALGLNGLUALAPHELEU
5   THRLEUHISLYSHISGLYCYSLEUPHEARG
6   ASPLEUVALARGILEGLNGLYLYSASPLEU
7   LEUTHRPROVALSERARGILELEUILEGLY
8   ASNPROGLYCYSTHRTYRLYSTYRLEUASN
9   THRARGLEUPHETHRVALPROTRPPROVAL
10   LYSGLYSERASNILELYSHISTHRGLUALA
11   GLUILEALAALAALACYSGLUTHRPHELEU
12   LYSLEUASNASPTYRLEUGLNILEGLUTHR
13   ILEGLNALALEUGLUGLULEUALAALALYS
14   GLULYSALAASNGLUASPALAVALPROLEU
15   CYSMETSERALAASPPHEPROARGVALGLY
16   METGLYSERSERTYRASNGLYGLNASPGLU
17   VALASPILELYSSERARGALAALATYRASN
18   VALTHRLEULEUASNPHEMETASPPROGLN
19   LYSMETPROTYRLEULYSGLUGLUPROTYR
20   PHEGLYMETGLYLYSMETALAVALSERTRP
21   HISHISASPGLUASNLEUVALASPARGSER
22   ALAVALALAVALTYRSERTYRSERCYSGLU
23   GLYPROGLUGLUGLUSERGLUASPASPSER
24   HISLEUGLUGLYARGASPPROASPILETRP
25   HISVALGLYPHELYSILESERTRPASPILE
26   GLUTHRPROGLYLEUALAILEPROLEUHIS
27   GLNGLYASPCYSTYRPHEMETLEUASPASP
28   LEUASNALATHRHISGLNHISCYSVALLEU
29   ALAGLYSERGLNPROARGPHESERSERTHR
30   HISARGVALALAGLUCYSSERTHRGLYTHR
31   LEUASPTYRILELEUGLNARGCYSGLNLEU
32   ALALEUGLNASNVALCYSASPASPVALASP
33   ASNASPASPVALSERLEULYSSERPHEGLU
34   PROALAVALLEULYSGLNGLYGLUGLUILE
35   HISASNGLUVALGLUPHEGLUTRPLEUARG
36   GLNPHETRPPHEGLNGLYASNARGTYRARG
37   LYSCYSTHRASPTRPTRPCYSGLNPROMET
38   ALAGLNLEUGLUALALEUTRPLYSLYSMET
39   GLUGLYVALTHRASNALAVALLEUHISGLU
40   VALLYSARGGLUGLYLEUPROVALGLUGLN
41   ARGASNGLUILELEUTHRALAILELEUALA
42   SERLEUTHRALAARGGLNASNLEUARGARG
43   GLUTRPHISALAARGCYSGLNSERARGILE
44   ALAARGTHRLEUPROALAASPGLNLYSPRO
45   GLUCYSARGPROTYRTRPGLULYSASPASP
46   ALASERMETPROLEUPROPHEASPLEUTHR
47   ASPILEVALSERGLULEUARGGLYGLNLEU
48   LEUGLUALALYSPRO

Samples:

sample_1: Fat mass and obesity associated protein FTO, [U-13C; U-15N; U-2H], 300 uM; TRIS-HCl PH 7.4 20 mM; sodium azide 0.02 % w/v; DTT 2 mM; sodium chloride 100 mM

sample_conditions_1: pH: 7.4; temperature: 303.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1

Software:

MARS - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB

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