BMRB Entry 11304

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PDB ID: 2doc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11304
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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 Neural cell adhesion molecule 2

Deposition date:

2010-08-09

Original release date:

2011-08-19

Authors:

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

Citation:

Citation: Yoneyama, M.; Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2" .

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 Host organism: E. coli - cell free Vector: P050719-17

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Fibronectin type-III domain: GSSGSSGQEYILALADVPSS PYGVKIIELSQTTAKVSFNK PDSHGGVPIHHYQVDVKEVA SEIWKIVRSHGVQTMVVLNN LEPNTTYEIRVAAVNGKGQG DYSKIEIFQTLPVSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	487
15N chemical shifts	114
1H chemical shifts	793

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

GLN

GLU

TYR

2

ILE

LEU

ALA

LEU

ALA

ASP

VAL

PRO

SER

3

PRO

TYR

GLY

VAL

LYS

ILE

GLU

LEU

SER

4

GLN

THR

ALA

LYS

VAL

SER

PHE

ASN

LYS

5

PRO

ASP

SER

HIS

GLY

VAL

PRO

ILE

HIS

6

HIS

TYR

GLN

VAL

ASP

VAL

LYS

GLU

VAL

ALA

7

SER

GLU

ILE

TRP

LYS

ILE

VAL

ARG

SER

HIS

8

GLY

VAL

GLN

THR

MET

VAL

LEU

ASN

9

LEU

GLU

PRO

ASN

THR

TYR

GLU

ILE

ARG

10

VAL

ALA

VAL

ASN

GLY

LYS

GLY

GLN

GLY

11

ASP

TYR

SER

LYS

ILE

GLU

ILE

PHE

GLN

THR

12

LEU

PRO

VAL

SER

GLY

PRO

SER

GLY

Samples:

sample_1: Fibronectin type-III domain, [U-13C; U-15N], 1.14 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: 298 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 v20030801, Delaglio, F. - processing

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

Kujira v0.9742, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 800 MHz