BMRB: 11121

The solution structure of the second 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), 116 monomers, 12403.40 Da Detail

GSSGSSGRVE TQPEVQLPGP APNLRAYAAS PTSITVTWET PVSGNGEIQN YKLYYMEKGT DKEQDVDVSS HSYTINGLKK YTEYSFRVVA YNKHGPGVST PDVAVRTLSD SGPSSG

Formula weight

12403.4 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.1 %, Completeness: 93.0 %, Completeness (bb): 92.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.0 % (1178 of 1266)	92.4 % (604 of 654)	94.1 % (466 of 495)	92.3 % (108 of 117)
Backbone	92.3 % (626 of 678)	91.1 % (214 of 235)	93.5 % (314 of 336)	91.6 % (98 of 107)
Sidechain	94.1 % (651 of 692)	93.1 % (390 of 419)	95.4 % (251 of 263)	100.0 % (10 of 10)
Aromatic	93.6 % (88 of 94)	100.0 % (47 of 47)	87.0 % (40 of 46)	100.0 % (1 of 1)
Methyl	98.1 % (106 of 108)	98.1 % (53 of 54)	98.1 % (53 of 54)

1. fn3 domain

GSSGSSGRVE TQPEVQLPGP APNLRAYAAS PTSITVTWET PVSGNGEIQN YKLYYMEKGT DKEQDVDVSS HSYTINGLKK YTEYSFRVVA YNKHGPGVST PDVAVRTLSD SGPSSG

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 1.9mM 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: -0.15 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: -0.15 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: -0.04 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: 0.7 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: 1X5G, Strand ID: A Detail

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Release date

2011-03-31

Citation

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

Related entities 1. Neogenin, : 1 : 469 entities Detail

Interaction partners 1. Neogenin, : 6 interactors Detail

Experiments performed 2 experiments Detail