BMRB: 11111

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

Authors

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

Assembly

Neogenin

Entity

1. Neogenin (polymer, Thiol state: not present), 124 monomers, 13377.83 Da Detail

GSSGSSGTAH GTTFELVPTS PPKDVTVVSK EGKPKTIIVN WQPPSEANGK ITGYIIYYST DVNAEIHDWV IEPVVGNRLT HQIQELTLDT PYYFKIQARN SKGMGPMSEA VQFRTPKASG PSSG

Formula weight

13377.83 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.7 %, Completeness: 92.1 %, Completeness (bb): 89.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	92.1 % (1290 of 1401)	91.5 % (664 of 726)	93.3 % (513 of 550)	90.4 % (113 of 125)
Backbone	89.8 % (648 of 722)	88.0 % (219 of 249)	91.1 % (328 of 360)	89.4 % (101 of 113)
Sidechain	94.6 % (748 of 791)	93.3 % (445 of 477)	96.4 % (291 of 302)	100.0 % (12 of 12)
Aromatic	92.5 % (98 of 106)	92.5 % (49 of 53)	92.2 % (47 of 51)	100.0 % (2 of 2)
Methyl	97.7 % (125 of 128)	96.9 % (62 of 64)	98.4 % (63 of 64)

1. fn3 domain

GSSGSSGTAH GTTFELVPTS PPKDVTVVSK EGKPKTIIVN WQPPSEANGK ITGYIIYYST DVNAEIHDWV IEPVVGNRLT HQIQELTLDT PYYFKIQARN SKGMGPMSEA VQFRTPKASG PSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±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; 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: -0.02 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: -0.02 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: -0.02 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: 0.63 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: 1X5K, Strand ID: A Detail

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Release date

2011-02-17

Citation

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

Related entities 1. Neogenin, : 1 : 3 : 406 entities Detail

Interaction partners 1. Neogenin, : 7 interactors Detail

Experiments performed 2 experiments Detail