BMRB: 7128

Fibronecting 1F3-2F3 backbone chemical shift assignments

Authors

Vakonakis, I., Campbell, I.D.

Assembly

1F3-2F3

Entity

1. 1F3-2F3 (polymer, Thiol state: not present), 201 monomers, 22097.16 Da Detail

SGPVEVFITE TPSQPNSHPI QWNAPQPSHI SKYILRWRPK NSVGRWKEAT IPGHLNSYTI KGLKPGVVYE GQLISIQQYG HQEVTRFDFT TTSTSTPVTS NTVTGETTPF SPLVATSESV TEITASSFVV SWVSASDTVS GFRVEYELSE EGDEPQYLDL PSTATSVNIP DLLPGRKYIV NVYQISEDGE QSLILSTSQT T

Formula weight

22097.16 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Rigid body docking with torsional flexibility at the interfacial amino acid sidechains

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.5 %, Completeness: 35.2 %, Completeness (bb): 59.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	35.2 % (805 of 2286)	21.6 % (254 of 1175)	41.7 % (377 of 904)	84.1 % (174 of 207)
Backbone	59.4 % (697 of 1174)	46.7 % (186 of 398)	57.5 % (340 of 591)	92.4 % (171 of 185)
Sidechain	19.1 % (249 of 1301)	8.8 % (68 of 777)	35.5 % (178 of 502)	13.6 % (3 of 22)
Aromatic	17.0 % (32 of 188)	18.1 % (17 of 94)	13.3 % (12 of 90)	75.0 % (3 of 4)
Methyl	16.4 % (38 of 232)	12.1 % (14 of 116)	20.7 % (24 of 116)

1. 1F3-2F3

SGPVEVFITE TPSQPNSHPI QWNAPQPSHI SKYILRWRPK NSVGRWKEAT IPGHLNSYTI KGLKPGVVYE GQLISIQQYG HQEVTRFDFT TTSTSTPVTS NTVTGETTPF SPLVATSESV TEITASSFVV SWVSASDTVS GFRVEYELSE EGDEPQYLDL PSTATSVNIP DLLPGRKYIV NVYQISEDGE QSLILSTSQT T

Show sample condition

Sample #1

Pressure 1 (±0) atm, Temperature 303 (±0.5) K, pH 7 (±0.1), Details U-15N 1F3-2F3, 150mM NaCl, 20mM NaPi, pH 7.0, 5% D2O

#	Name	Isotope labeling	Type	Concentration
1	1F3-2F3	[U-15N]	protein	1.2 (±0.2) mM
2	NaCl			150 mM
3	NaPi			20 mM
4	D2O			5 %
5	H2O			95 %

Sample #2

Pressure 1 (±0) atm, Temperature 303 (±0.5) K, pH 7 (±0.1), Details U-13C, 15N 1F3-2F3, 150mM NaCl, 20mM NaPi pH 7.0, 5% D2O

#	Name	Isotope labeling	Type	Concentration
6	1F3-2F3	[U-13C; U-15N]	protein
7	NaCl			150 mM
8	NaPi			20 mM
9	D2O			5 %
10	H2O			95 %

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LACS Plot; CA

Referencing offset: -0.13 ppm, Outliers: 7 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.13 ppm, Outliers: 7 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 39 models in PDB: 2HA1, Strand ID: A Detail

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Release date

2007-05-28

Citation

Interdomain association in fibronectin: insight into cryptic sites and fibrillogenesis
Vakonakis, I., Staunton, D., Rooney, L., Campbell, I.D.
EMBO J. (2007), 26, 2575-2583, PubMed 17464288 , DOI 10.1038/sj.emboj.7601694 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. 1F3-2F3, : 1 : 2 : 288 entities Detail

Interaction partners 1. 1F3-2F3, : 89 interactors Detail

Experiments performed 5 experiments Detail