BMRB: 10270

Solution structures of the fn3 domain of human contactin 1

Authors

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

Assembly

Contactin-1

Entity

1. Contactin-1 (polymer, Thiol state: all free), 119 monomers, 12629.71 Da Detail

GSSGSSGVAV INSAQDAPSE APTEVGVKVL SSSEISVHWE HVLEKIVESY QIRYWAAHDK EEAANRVQVT SQEYSARLEN LLPDTQYFIE VGACNSAGCG PPSDMIEAFT KKASGPSSG

Formula weight

12629.71 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 96.2 %, Completeness (bb): 96.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.2 % (1236 of 1285)	95.2 % (628 of 660)	97.4 % (488 of 501)	96.8 % (120 of 124)
Backbone	96.4 % (677 of 702)	95.9 % (231 of 241)	96.8 % (337 of 348)	96.5 % (109 of 113)
Sidechain	96.2 % (667 of 693)	94.7 % (397 of 419)	98.5 % (259 of 263)	100.0 % (11 of 11)
Aromatic	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (42 of 42)	100.0 % (2 of 2)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. Fibronectin type III domain

GSSGSSGVAV INSAQDAPSE APTEVGVKVL SSSEISVHWE HVLEKIVESY QIRYWAAHDK EEAANRVQVT SQEYSARLEN LLPDTQYFIE VGACNSAGCG PPSDMIEAFT KKASGPSSG

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)

#	Name	Isotope labeling	Type	Concentration
1	fn3 domain	[U-13C; U-15N]	protein	1 mM
2	d-Tris HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3		salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

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: -0.14 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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LACS Plot; HA

Referencing offset: 0.02 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: 0.5 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

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: 2EE2, Strand ID: A Detail

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Release date

2009-12-13

Citation

Solution structures of the fn3 domain of human contactin 1
Sato, M., Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Contactin-1, : 1 : 2 : 402 entities Detail

Interaction partners 1. Contactin-1, : 9 interactors Detail

Experiments performed 2 experiments Detail