BMRB: 7127

Fibronectin 2F3 chemical shift assignments

Authors

Vakonakis, I., Campbell, I.D.

Assembly

2F3

Entity

1. 2F3 (polymer, Thiol state: not present), 95 monomers, 10198.02 Da Detail

GPLGSHLVAT SESVTEITAS SFVVSWVSAS DTVSGFRVEY ELSEEGDEPQ YLDLPSTATS VNIPDLLPGR KYIVNVYQIS EDGEQSLILS TSQTT

Formula weight

10198.02 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Simulated annealing in cartesian space

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.6 %, Completeness (bb): 83.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.6 % (938 of 1035)	98.3 % (516 of 525)	79.2 % (327 of 413)	97.9 % (95 of 97)
Backbone	83.6 % (468 of 560)	97.9 % (187 of 191)	69.2 % (193 of 279)	97.8 % (88 of 90)
Sidechain	99.1 % (559 of 564)	98.5 % (329 of 334)	100.0 % (223 of 223)	100.0 % (7 of 7)
Aromatic	100.0 % (68 of 68)	100.0 % (34 of 34)	100.0 % (33 of 33)	100.0 % (1 of 1)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. 2F3

GPLGSHLVAT SESVTEITAS SFVVSWVSAS DTVSGFRVEY ELSEEGDEPQ YLDLPSTATS VNIPDLLPGR KYIVNVYQIS EDGEQSLILS TSQTT

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	2F3	[U-15N]	protein	2 (±0.2) mM
2	NaCl			20 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 (±0.1), Details U-13C,15N 2F3, 20mM NaCl, 20mM NaPi pH 7.0, 5% D2O

#	Name	Isotope labeling	Type	Concentration
6	2F3	[U-13C; U-15N]	protein	1.5 (±0.1) mM
7	NaCl			20 mM
8	NaPi			20 mM
9	D2O			5 %
10	H2O			95 %

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LACS Plot; CA

Referencing offset: -0.13 ppm, Outliers: 2 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: 2 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; HA

Referencing offset: -0.04 ppm, Outliers: 1 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 25 models in PDB: 2H45, 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

Related entities 1. 2F3, : 1 : 1 : 3 : 201 entities Detail

Interaction partners 1. 2F3, : 89 interactors Detail

Experiments performed 9 experiments Detail