BMRB: 11119

The solution structure of the first fibronectin type III domain of human Neogenin

Authors

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

Assembly

Neogenin

Entity

1. Neogenin (polymer, Thiol state: not present), 120 monomers, 12766.99 Da Detail

GSSGSSGEHA PATTGPLPSA PRDVVASLVS TRFIKLTWRT PASDPHGDNL TYSVFYTKEG IARERVENTS HPGEMQVTIQ NLMPATVYIF RVMAQNKHGS GESSAPLRVE TQPESGPSSG

Formula weight

12766.99 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 94.6 %, Completeness (bb): 96.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.6 % (1233 of 1304)	93.0 % (628 of 675)	96.1 % (491 of 511)	96.6 % (114 of 118)
Backbone	96.1 % (671 of 698)	95.0 % (228 of 240)	96.8 % (338 of 349)	96.3 % (105 of 109)
Sidechain	93.4 % (668 of 715)	92.0 % (400 of 435)	95.6 % (259 of 271)	100.0 % (9 of 9)
Aromatic	80.5 % (66 of 82)	82.9 % (34 of 41)	77.5 % (31 of 40)	100.0 % (1 of 1)
Methyl	99.1 % (115 of 116)	98.3 % (57 of 58)	100.0 % (58 of 58)

1. fn3 domain

GSSGSSGEHA PATTGPLPSA PRDVVASLVS TRFIKLTWRT PASDPHGDNL TYSVFYTKEG IARERVENTS HPGEMQVTIQ NLMPATVYIF RVMAQNKHGS GESSAPLRVE TQPESGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05), Details 1.9mM FN3 domain {U-15N,13C;} 20mM d-Tris {HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	FN3 domain	[U-13C; U-15N]	protein	1.9 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: -0.03 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: -0.03 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: 2 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: 0.58 ppm, Outliers: 2 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: 1X5F, Strand ID: A Detail

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Release date

2011-03-31

Citation

The solution structure of the first fibronectin type III domain of human Neogenin
Tochio, N., Sasagawa, A., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Neogenin, : 1 : 2 : 399 entities Detail

Interaction partners 1. Neogenin, : 6 interactors Detail

Experiments performed 2 experiments Detail