BMRB Entry 11152

Name: Solution structure of the fibronectin type III domain of human Integrin beta-4
Published: 2011-05-05

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PDB ID: 2yrz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11152
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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 structure of the fibronectin type III domain of human Integrin beta-4

Deposition date:

2010-04-15

Original release date:

2011-05-05

Authors:

Abe, H.; Sasagawa, A.; Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Abe, H.; Sasagawa, A.; Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structure of the fibronectin type III domain of human Integrin beta-4" .

Assembly members:

Assembly members:
fn3, polymer, 118 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: P050322-10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
fn3: GSSGSSGSHDSRLTAGVPDT PTRLVFSALGPTSLRVSWQE PRCERPLQGYSVEYQLLNGG ELHRLNIPNPAQTSVVVEDL LPNHSYVFRVRAQSQEGWGR EREGVITIESQVSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	471
15N chemical shifts	113
1H chemical shifts	740

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	fn3	1

Entities:

Entity 1, fn3 118 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

SER

HIS

ASP

2

SER

ARG

LEU

THR

ALA

GLY

VAL

PRO

ASP

THR

3

PRO

THR

ARG

LEU

VAL

PHE

SER

ALA

LEU

GLY

4

PRO

THR

SER

LEU

ARG

VAL

SER

TRP

GLN

GLU

5

PRO

ARG

CYS

GLU

ARG

PRO

LEU

GLN

GLY

TYR

6

SER

VAL

GLU

TYR

GLN

LEU

ASN

GLY

7

GLU

LEU

HIS

ARG

LEU

ASN

ILE

PRO

ASN

PRO

8

ALA

GLN

THR

SER

VAL

GLU

ASP

LEU

9

LEU

PRO

ASN

HIS

SER

TYR

VAL

PHE

ARG

VAL

10

ARG

ALA

GLN

SER

GLN

GLU

GLY

TRP

GLY

ARG

11

GLU

ARG

GLU

GLY

VAL

ILE

THR

ILE

GLU

SER

12

GLN

VAL

SER

GLY

PRO

SER

GLY

Samples:

sample_1: fn3, [U-13C; U-15N], 1.21 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 v20030801, Delaglio, F. - processing

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

Kujira v0.9820, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 900 MHz