BMRB: 11110

The solution structure of the 33rd fibronectin type III domain of human Tenascin-X

Authors

Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Assembly

Tenascin-X

Entity

1. Tenascin-X (polymer, Thiol state: not present), 105 monomers, 10947.19 Da Detail

GSSGSSGLEA PRDLEAKEVT PRTALLTWTE PPVRPAGYLL SFHTPGGQTQ EILLPGGITS HQLLGLFPST SYNARLQAMW GQSLLPPVST SFTTGGLRIS GPSSG

Formula weight

10947.19 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.2 %, Completeness: 93.4 %, Completeness (bb): 92.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.4 % (1077 of 1153)	92.6 % (551 of 595)	94.7 % (432 of 456)	92.2 % (94 of 102)
Backbone	92.1 % (560 of 608)	89.7 % (191 of 213)	94.0 % (283 of 301)	91.5 % (86 of 94)
Sidechain	95.1 % (605 of 636)	94.2 % (360 of 382)	96.3 % (237 of 246)	100.0 % (8 of 8)
Aromatic	88.5 % (69 of 78)	92.3 % (36 of 39)	83.8 % (31 of 37)	100.0 % (2 of 2)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. fn3 domain

GSSGSSGLEA PRDLEAKEVT PRTALLTWTE PPVRPAGYLL SFHTPGGQTQ EILLPGGITS HQLLGLFPST SYNARLQAMW GQSLLPPVST SFTTGGLRIS GPSSG

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05), Details 1.3mM FN3 domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	FN3 domain	[U-13C; U-15N]	protein	1.3 mM
2	d-Tris HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

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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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.12 ppm, Outliers: 1 Detail

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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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 1 Detail

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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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.9 ppm, Outliers: 3 Detail

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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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2CUM, Strand ID: A Detail

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Release date

2011-02-17

Citation

The solution structure of the 33rd fibronectin type III domain of human Tenascin-X
Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Tenascin-X, : 1 : 270 entities Detail

Interaction partners 1. Tenascin-X, : 6 interactors Detail

Experiments performed 2 experiments Detail