BMRB Entry 53599

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53599

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Title:
1H, 13C, 15N chemical shift assignments and 15N relaxation data for the FNIII14-V120-FNIII15 fragment of fibronectin
Deposition date:
2026-03-04
Original release date:
2026-11-01
Authors:
Banks, Paige; Blumson, Eve; Craig, Susan; Askari, Janet; Humphries, Jonathan; Tunnicliffe, Richard; Humphries, Martin; Waltho, Jonathan; Cliff, Matthew
Citation:

Citation: Banks, Paige; Blumson, Eve; Tunnicliffe, Richard; Craig, Sue; Askari, Janet; Humphries, Jonathan; Humphries, Martin; Waltho, Jonathan; Cliff, Matthew. "Structural characterisation of the IIICS-containing region of fibronectin: Splice variants define propensity for long-range interactions "  J. Struct. Biol. 218, 108379-108379 (2026).
PubMed: 42833290

Assembly members:

Assembly members:
entity_1, polymer, 306 residues, 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: pET301/CT-DEST

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DAPSNLRFLATTPNSLLVSW QPPRARITGYIIKYEKPGSP PREVVPRPRPGVTEATITGL EPGTEYTIYVIALKNNQKSE PLIGRKKTDELPQLVTLPHP NLHGPEILDVPSTVQKTPFV THPGYDTGNGIQLPGTSGQQ PSVGQQMIFEEHGFRRTTPP TTATPIRHRPRPYPPNVGEE IQIGHIPREDVDYHLYPHGP GLNPNASTGQEALSQTTISW APFQDTSEYIISCHPVGTDE EPLQFRVPGTSTSATLTGLT RGATYNIIVEALKDQQRHKV REEVVTVGNSEFPGTRSVDY KDDDDK

Data sets:
Data typeCount
13C chemical shifts273
15N chemical shifts243
1H chemical shifts243
T1 relaxation values187
T2 relaxation values187

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Fibronectin 14FnIII-IIICS-15FnIII1

Entities:

Entity 1, Fibronectin 14FnIII-IIICS-15FnIII 306 residues - Formula weight is not available

1   ASPALAPROSERASNLEUARGPHELEUALA
2   THRTHRPROASNSERLEULEUVALSERTRP
3   GLNPROPROARGALAARGILETHRGLYTYR
4   ILEILELYSTYRGLULYSPROGLYSERPRO
5   PROARGGLUVALVALPROARGPROARGPRO
6   GLYVALTHRGLUALATHRILETHRGLYLEU
7   GLUPROGLYTHRGLUTYRTHRILETYRVAL
8   ILEALALEULYSASNASNGLNLYSSERGLU
9   PROLEUILEGLYARGLYSLYSTHRASPGLU
10   LEUPROGLNLEUVALTHRLEUPROHISPRO
11   ASNLEUHISGLYPROGLUILELEUASPVAL
12   PROSERTHRVALGLNLYSTHRPROPHEVAL
13   THRHISPROGLYTYRASPTHRGLYASNGLY
14   ILEGLNLEUPROGLYTHRSERGLYGLNGLN
15   PROSERVALGLYGLNGLNMETILEPHEGLU
16   GLUHISGLYPHEARGARGTHRTHRPROPRO
17   THRTHRALATHRPROILEARGHISARGPRO
18   ARGPROTYRPROPROASNVALGLYGLUGLU
19   ILEGLNILEGLYHISILEPROARGGLUASP
20   VALASPTYRHISLEUTYRPROHISGLYPRO
21   GLYLEUASNPROASNALASERTHRGLYGLN
22   GLUALALEUSERGLNTHRTHRILESERTRP
23   ALAPROPHEGLNASPTHRSERGLUTYRILE
24   ILESERCYSHISPROVALGLYTHRASPGLU
25   GLUPROLEUGLNPHEARGVALPROGLYTHR
26   SERTHRSERALATHRLEUTHRGLYLEUTHR
27   ARGGLYALATHRTYRASNILEILEVALGLU
28   ALALEULYSASPGLNGLNARGHISLYSVAL
29   ARGGLUGLUVALVALTHRVALGLYASNSER
30   GLUPHEPROGLYTHRARGSERVALASPTYR
31   LYSASPASPASPASPLYS

Samples:

sample_1: Fibronectin 14FnIII-IIICS-15FnIII, [U-13C; U-15N], 0.2 mM; bis-tris 20 mM; NaCl 150 mM; EDTA 10 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.2 - processing

CcpNMR v3.2 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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