BMRB Entry 16841

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16841

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Title:
Chemical Shift Assignments of Fibronectin 6FnI1-2FnII7FnI
Deposition date:
2010-04-06
Original release date:
2010-09-08
Authors:
Erat, Michele; Campbell, Iain; Vakonakis, Ioannis
Citation:

Citation: Erat, Michele; Schwarz-Linek, Ulrich; Pickford, Andrew; Farndale, Richard; Campbell, Iain; Vakonakis, Ioannis. "Implications for Collagen Binding from the Crystallographic Structure of Fibronectin 6FnI1-2FnII7FnI."  J. Biol. Chem. 285, 33764-33770 (2010).
PubMed: 20739283

Assembly members:

Assembly members:
QUAD, polymer, 211 residues, 23708.1 Da.
NAG, non-polymer, 221.208 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: Pichia pastoris   Vector: pPICZalpha

Entity Sequences (FASTA):

Entity Sequences (FASTA):
QUAD: YGDCVTDSGVVYSVGMQWLK TQGNKQMLCTCLGNGVSCQE TAVTQTYGGNSNGEPCVLPF TYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDH TVLVQTRGGNSNGALCHFPF LYNNHNYTDCTSEGRRDNMK WCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQW DKQHDMGHMMRCTCVGNGRG EWTCIAYSQLR

Data sets:
Data typeCount
13C chemical shifts498
15N chemical shifts186
1H chemical shifts985

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Fibronectin 6FnI1-2FnII7FnI1
2glycan2

Entities:

Entity 1, Fibronectin 6FnI1-2FnII7FnI 211 residues - 23708.1 Da.

N430 is glycosylated with a single N-acetylglucosamine

1   TYRGLYASPCYSVALTHRASPSERGLYVAL
2   VALTYRSERVALGLYMETGLNTRPLEULYS
3   THRGLNGLYASNLYSGLNMETLEUCYSTHR
4   CYSLEUGLYASNGLYVALSERCYSGLNGLU
5   THRALAVALTHRGLNTHRTYRGLYGLYASN
6   SERASNGLYGLUPROCYSVALLEUPROPHE
7   THRTYRASNGLYARGTHRPHETYRSERCYS
8   THRTHRGLUGLYARGGLNASPGLYHISLEU
9   TRPCYSSERTHRTHRSERASNTYRGLUGLN
10   ASPGLNLYSTYRSERPHECYSTHRASPHIS
11   THRVALLEUVALGLNTHRARGGLYGLYASN
12   SERASNGLYALALEUCYSHISPHEPROPHE
13   LEUTYRASNASNHISASNTYRTHRASPCYS
14   THRSERGLUGLYARGARGASPASNMETLYS
15   TRPCYSGLYTHRTHRGLNASNTYRASPALA
16   ASPGLNLYSPHEGLYPHECYSPROMETALA
17   ALAHISGLUGLUILECYSTHRTHRASNGLU
18   GLYVALMETTYRARGILEGLYASPGLNTRP
19   ASPLYSGLNHISASPMETGLYHISMETMET
20   ARGCYSTHRCYSVALGLYASNGLYARGGLY
21   GLUTRPTHRCYSILEALATYRSERGLNLEU
22   ARG

Entity 2, glycan - C8 H15 N O6 - 221.208 Da.

1   NAG

Samples:

sample_1: QUAD, [U-15N], 1 mM; sodium phosphate 20 mM; sodium azide 0.02%; DSS 0.1 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_2: QUAD, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium azide 0.02%; DSS 0.1 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_3: QUAD, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium azide 0.02%; DSS 0.1 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 0.02 M; pH: 7.2; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
CACONHsample_2isotropicsample_conditions_1
CBCACONHsample_2isotropicsample_conditions_1
C(CCO)NHsample_2isotropicsample_conditions_1
H(CCCO)NHsample_2isotropicsample_conditions_1
HCCH-COSYsample_3isotropicsample_conditions_1
HBCBCGCDHDsample_3isotropicsample_conditions_1
HBCBCGCDCEHEsample_3isotropicsample_conditions_1
HBHACONHsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
4D HC/HC NOESYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

Omega Spectrometer Operating Software vBeta 6.03b2, GE - collection

PIPP v4.3.7, Garrett - chemical shift assignment

NMRPipe v2.4 Rev 2006.095.11.35, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • GE OMEGA 950 MHz
  • Bruker Avance 500 MHz
  • GE OMEGA 500 MHz

Related Database Links:

PDB
DBJ BAM95188
GB AAG30571

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