BMRB Entry 11110

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PDB ID: 2cum
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11110
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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 33rd fibronectin type III domain of human Tenascin-X

Deposition date:

2010-02-18

Original release date:

2011-02-18

Authors:

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

Citation:

Citation: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the 33rd fibronectin type III domain of human Tenascin-X" .

Assembly members:

Assembly members:
fn3 domain, polymer, 105 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 Host organism: E. coli - cell free Vector: P050207-05

Entity Sequences (FASTA):

Entity Sequences (FASTA):
fn3 domain: GSSGSSGLEAPRDLEAKEVT PRTALLTWTEPPVRPAGYLL SFHTPGGQTQEILLPGGITS HQLLGLFPSTSYNARLQAMW GQSLLPPVSTSFTTGGLRIS GPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	431
15N chemical shifts	95
1H chemical shifts	674

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 105 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

LEU

GLU

ALA

2

PRO

ARG

ASP

LEU

GLU

ALA

LYS

GLU

VAL

THR

3

PRO

ARG

THR

ALA

LEU

THR

TRP

THR

GLU

4

PRO

VAL

ARG

PRO

ALA

GLY

TYR

LEU

5

SER

PHE

HIS

THR

PRO

GLY

GLN

THR

GLN

6

GLU

ILE

LEU

PRO

GLY

ILE

THR

SER

7

HIS

GLN

LEU

GLY

LEU

PHE

PRO

SER

THR

8

SER

TYR

ASN

ALA

ARG

LEU

GLN

ALA

MET

TRP

9

GLY

GLN

SER

LEU

PRO

VAL

SER

THR

10

SER

PHE

THR

GLY

LEU

ARG

ILE

SER

11

GLY

PRO

SER

GLY

Samples:

sample_1: FN3 domain, [U-13C; U-15N], 1.3 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 v3.5, 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 900 MHz