BMRB Entry 53603

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53603

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Title:
1H, 13C, 15N chemical shift assignments and 15N heteronuclear NOEs for residues 2083-2284 of the FNIII12-14-V120-FNIII15 fragment of fibronectin
Deposition date:
2026-03-05
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, 473 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: pFLAG-CTC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AIPAPTDLKFTQVTPTSLSA QWTPPNVQLTGYRVRVTPKE KTGPMKEINLAPDSSSVVVS GLMVATKYEVSVYALKDTLT SRPAQGVVTTLENVSPPRRA RVTDATETTITISWRTKTET ITGFQVDAVPANGQTPIQRT IKPDVRSYTITGLQPGTDYK IYLYTLNDNARSSPVVIDAS TAIDAPSNLRFLATTPNSLL VSWQPPRARITGYIIKYEKP GSPPREVVPRPRPGVTEATI TGLEPGTEYTIYVIALKNNQ KSEPLIGRKKTDELPQLVTL PHPNLHGPEILDVPSTVQKT PFVTHPGYDTGNGIQLPGTS GQQPSVGQQMIFEEHGFRRT TPPTTATPIRHRPRPYPPNV GEEIQIGHIPREDVDYHLYP HGPGLNPNASTGQEALSQTT ISWAPFQDTSEYIISCHPVG TDEEPLQFRVPGTSTSATLT GLTRGATYNVIVEALKDQQR HKVREEVVTVGNS

Data sets:
Data typeCount
13C chemical shifts525
15N chemical shifts162
1H chemical shifts163
heteronuclear NOE values68

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Fibronectin fragment 12-14FnIII-IIICS-15FnIII1

Entities:

Entity 1, Fibronectin fragment 12-14FnIII-IIICS-15FnIII 473 residues - Formula weight is not available

1   ALAILEPROALAPROTHRASPLEULYSPHE
2   THRGLNVALTHRPROTHRSERLEUSERALA
3   GLNTRPTHRPROPROASNVALGLNLEUTHR
4   GLYTYRARGVALARGVALTHRPROLYSGLU
5   LYSTHRGLYPROMETLYSGLUILEASNLEU
6   ALAPROASPSERSERSERVALVALVALSER
7   GLYLEUMETVALALATHRLYSTYRGLUVAL
8   SERVALTYRALALEULYSASPTHRLEUTHR
9   SERARGPROALAGLNGLYVALVALTHRTHR
10   LEUGLUASNVALSERPROPROARGARGALA
11   ARGVALTHRASPALATHRGLUTHRTHRILE
12   THRILESERTRPARGTHRLYSTHRGLUTHR
13   ILETHRGLYPHEGLNVALASPALAVALPRO
14   ALAASNGLYGLNTHRPROILEGLNARGTHR
15   ILELYSPROASPVALARGSERTYRTHRILE
16   THRGLYLEUGLNPROGLYTHRASPTYRLYS
17   ILETYRLEUTYRTHRLEUASNASPASNALA
18   ARGSERSERPROVALVALILEASPALASER
19   THRALAILEASPALAPROSERASNLEUARG
20   PHELEUALATHRTHRPROASNSERLEULEU
21   VALSERTRPGLNPROPROARGALAARGILE
22   THRGLYTYRILEILELYSTYRGLULYSPRO
23   GLYSERPROPROARGGLUVALVALPROARG
24   PROARGPROGLYVALTHRGLUALATHRILE
25   THRGLYLEUGLUPROGLYTHRGLUTYRTHR
26   ILETYRVALILEALALEULYSASNASNGLN
27   LYSSERGLUPROLEUILEGLYARGLYSLYS
28   THRASPGLULEUPROGLNLEUVALTHRLEU
29   PROHISPROASNLEUHISGLYPROGLUILE
30   LEUASPVALPROSERTHRVALGLNLYSTHR
31   PROPHEVALTHRHISPROGLYTYRASPTHR
32   GLYASNGLYILEGLNLEUPROGLYTHRSER
33   GLYGLNGLNPROSERVALGLYGLNGLNMET
34   ILEPHEGLUGLUHISGLYPHEARGARGTHR
35   THRPROPROTHRTHRALATHRPROILEARG
36   HISARGPROARGPROTYRPROPROASNVAL
37   GLYGLUGLUILEGLNILEGLYHISILEPRO
38   ARGGLUASPVALASPTYRHISLEUTYRPRO
39   HISGLYPROGLYLEUASNPROASNALASER
40   THRGLYGLNGLUALALEUSERGLNTHRTHR
41   ILESERTRPALAPROPHEGLNASPTHRSER
42   GLUTYRILEILESERCYSHISPROVALGLY
43   THRASPGLUGLUPROLEUGLNPHEARGVAL
44   PROGLYTHRSERTHRSERALATHRLEUTHR
45   GLYLEUTHRARGGLYALATHRTYRASNVAL
46   ILEVALGLUALALEULYSASPGLNGLNARG
47   HISLYSVALARGGLUGLUVALVALTHRVAL
48   GLYASNSER

Samples:

sample_1: Fibronectin fragment 12-14FnIII-IIICS-15FnIII, [U-13C; U-15N], 0.3 mM; tris 10 mM; NaCl 150 mM; EDTA 1 mM; sodium azide 0.02 % (w/v)

sample_conditions_1: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR - 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