BMRB: 11304

Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2

Authors

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

Assembly

Neural cell adhesion molecule 2

Entity

1. Neural cell adhesion molecule 2 (polymer, Thiol state: not present), 119 monomers, 12696.07 Da Detail

GSSGSSGQEY ILALADVPSS PYGVKIIELS QTTAKVSFNK PDSHGGVPIH HYQVDVKEVA SEIWKIVRSH GVQTMVVLNN LEPNTTYEIR VAAVNGKGQG DYSKIEIFQT LPVSGPSSG

Formula weight

12696.07 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 93.8 %, Completeness (bb): 91.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.8 % (1247 of 1330)	93.6 % (641 of 685)	94.0 % (490 of 521)	93.5 % (116 of 124)
Backbone	91.4 % (640 of 700)	90.1 % (219 of 243)	91.9 % (317 of 345)	92.9 % (104 of 112)
Sidechain	96.2 % (709 of 737)	95.5 % (422 of 442)	97.2 % (275 of 283)	100.0 % (12 of 12)
Aromatic	94.3 % (83 of 88)	95.5 % (42 of 44)	93.0 % (40 of 43)	100.0 % (1 of 1)
Methyl	99.3 % (139 of 140)	98.6 % (69 of 70)	100.0 % (70 of 70)

1. Fibronectin type-III domain

GSSGSSGQEY ILALADVPSS PYGVKIIELS QTTAKVSFNK PDSHGGVPIH HYQVDVKEVA SEIWKIVRSH GVQTMVVLNN LEPNTTYEIR VAAVNGKGQG DYSKIEIFQT LPVSGPSSG

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.14mM Fibronectin type-III domain, U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Fibronectin type-III domain	[U-13C; U-15N]	protein	1.14 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: -0.18 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; CB

Referencing offset: -0.18 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; HA

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; CO

Referencing offset: 0.64 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: 2DOC, Strand ID: A Detail

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Release date

2011-08-18

Citation

Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2
Yoneyama, M., Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Neural cell adhesion molecule 2, : 1 : 332 entities Detail

Interaction partners 1. Neural cell adhesion molecule 2, : 6 interactors Detail

Experiments performed 2 experiments Detail