BMRB: 11120

The solution structure of the third 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), 132 monomers, 14038.28 Da Detail

GSSGSSGDVA VRTLSDVPSA APQNLSLEVR NSKSIMIHWQ PPAPATQNGQ ITGYKIRYRK ASRKSDVTET LVSGTQLSQL IEGLDRGTEY NFRVAALTIN GTGPATDWLS AETFESDLDE TRVPEVSGPS SG

Formula weight

14038.28 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 93.9 %, Completeness (bb): 93.8 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.9 % (1346 of 1433)	92.0 % (681 of 740)	96.4 % (536 of 556)	94.2 % (129 of 137)
Backbone	93.8 % (728 of 776)	91.0 % (244 of 268)	95.8 % (368 of 384)	93.5 % (116 of 124)
Sidechain	94.5 % (734 of 777)	92.6 % (437 of 472)	97.3 % (284 of 292)	100.0 % (13 of 13)
Aromatic	88.9 % (64 of 72)	88.9 % (32 of 36)	88.2 % (30 of 34)	100.0 % (2 of 2)
Methyl	99.3 % (143 of 144)	98.6 % (71 of 72)	100.0 % (72 of 72)

1. fn3 domain

GSSGSSGDVA VRTLSDVPSA APQNLSLEVR NSKSIMIHWQ PPAPATQNGQ ITGYKIRYRK ASRKSDVTET LVSGTQLSQL IEGLDRGTEY NFRVAALTIN GTGPATDWLS AETFESDLDE TRVPEVSGPS SG

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 1.5mM 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	1.5 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 %

Hide sample codition

LACS Plot; CA

Referencing offset: -0.07 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

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.07 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

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 2 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

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: 0.59 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

Hide chemical shift referencing parameters

Protein Blocks Logo

Calculated from 20 models in PDB: 1X5H, Strand ID: A Detail

---

Release date

2011-03-31

Citation

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

Related entities 1. Neogenin, : 1 : 378 entities Detail

Interaction partners 1. Neogenin, : 6 interactors Detail

Experiments performed 2 experiments Detail