BMRB Entry 10270

Name: Solution structures of the fn3 domain of human contactin 1
Published: 2009-12-14

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PDB ID: 2ee2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR10270
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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:

Solution structures of the fn3 domain of human contactin 1

Deposition date:

2008-12-15

Original release date:

2009-12-14

Authors:

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

Citation:

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

Assembly members:

Assembly members:
Fibronectin type III domain, polymer, 119 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: cell free synthesis Vector: P050711-22

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Fibronectin type III domain: GSSGSSGVAVINSAQDAPSE APTEVGVKVLSSSEISVHWE HVLEKIVESYQIRYWAAHDK EEAANRVQVTSQEYSARLEN LLPDTQYFIEVGACNSAGCG PPSDMIEAFTKKASGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	488
15N chemical shifts	119
1H chemical shifts	755

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fibronectin type III domain	1

Entities:

Entity 1, Fibronectin type III domain 119 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

VAL

ALA

VAL

2

ILE

ASN

SER

ALA

GLN

ASP

ALA

PRO

SER

GLU

3

ALA

PRO

THR

GLU

VAL

GLY

VAL

LYS

VAL

LEU

4

SER

GLU

ILE

SER

VAL

HIS

TRP

GLU

5

HIS

VAL

LEU

GLU

LYS

ILE

VAL

GLU

SER

TYR

6

GLN

ILE

ARG

TYR

TRP

ALA

HIS

ASP

LYS

7

GLU

ALA

ASN

ARG

VAL

GLN

VAL

THR

8

SER

GLN

GLU

TYR

SER

ALA

ARG

LEU

GLU

ASN

9

LEU

PRO

ASP

THR

GLN

TYR

PHE

ILE

GLU

10

VAL

GLY

ALA

CYS

ASN

SER

ALA

GLY

CYS

GLY

11

PRO

SER

ASP

MET

ILE

GLU

ALA

PHE

THR

12

LYS

ALA

SER

GLY

PRO

SER

GLY

Samples:

sample_1: fn3 domain, [U-13C; U-15N], 1 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 13C-separated NOESY	sample_1	isotropic	condition_1
3D 15N-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v2.0.17, Johnson, B.A. - data analysis

Kujira v0.932, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 900 MHz