BMRB Entry 11119

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PDB ID: 1x5f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11119
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: The solution structure of the first fibronectin type III domain of human Neogenin

Deposition date: 2010-03-31 Original release date: 2011-04-01

Authors: Tochio, N.; Sasagawa, A.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation: Tochio, N.; Sasagawa, A.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the first fibronectin type III domain of human Neogenin" . ., .-..

Assembly members:
fn3 domain, polymer, 120 residues, Formula weight is not available

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free

Entity Sequences (FASTA):
fn3 domain: GSSGSSGEHAPATTGPLPSA PRDVVASLVSTRFIKLTWRT PASDPHGDNLTYSVFYTKEG IARERVENTSHPGEMQVTIQ NLMPATVYIFRVMAQNKHGS GESSAPLRVETQPESGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	486
15N chemical shifts	114
1H chemical shifts	752

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	fn3 domain	1

Entities:

Entity 1, fn3 domain 120 residues - Formula weight is not available

1	GLY	SER	SER	GLY	SER	SER	GLY	GLU	HIS	ALA
2	PRO	ALA	THR	THR	GLY	PRO	LEU	PRO	SER	ALA
3	PRO	ARG	ASP	VAL	VAL	ALA	SER	LEU	VAL	SER
4	THR	ARG	PHE	ILE	LYS	LEU	THR	TRP	ARG	THR
5	PRO	ALA	SER	ASP	PRO	HIS	GLY	ASP	ASN	LEU
6	THR	TYR	SER	VAL	PHE	TYR	THR	LYS	GLU	GLY
7	ILE	ALA	ARG	GLU	ARG	VAL	GLU	ASN	THR	SER
8	HIS	PRO	GLY	GLU	MET	GLN	VAL	THR	ILE	GLN
9	ASN	LEU	MET	PRO	ALA	THR	VAL	TYR	ILE	PHE
10	ARG	VAL	MET	ALA	GLN	ASN	LYS	HIS	GLY	SER
11	GLY	GLU	SER	SER	ALA	PRO	LEU	ARG	VAL	GLU
12	THR	GLN	PRO	GLU	SER	GLY	PRO	SER	SER	GLY

Samples:

sample_1: FN3 domain, [U-13C; U-15N], 1.9 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v2.6, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.9295, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

Biological Magnetic Resonance Data Bank