BMRB Entry 11180

Name: Solution structure of the first SH3 domain of KIAA0318 protein
Published: 2011-07-20

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PDB ID: 1wie
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11180
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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 first SH3 domain of KIAA0318 protein

Deposition date:

2010-07-21

Original release date:

2011-07-20

Authors:

Inoue, K.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Inoue, K.; Hayashi, F.; Yokoyama, S.. "Solution structure of the first SH3 domain of KIAA0318 protein" .

Assembly members:

Assembly members:
SH3 domain, polymer, 96 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: P030512-61

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGTSKQRYSGKVHLC VARYSYNPFDGPNENPEAEL PLTAGKYLYVYGDMDEDGFY EGELLDGQRGLVPSNFVDFV QDNESRLASTSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	404
15N chemical shifts	100
1H chemical shifts	611

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3 domain	1

Entities:

Entity 1, SH3 domain 96 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

THR

SER

LYS

2

GLN

ARG

TYR

SER

GLY

LYS

VAL

HIS

LEU

CYS

3

VAL

ALA

ARG

TYR

SER

TYR

ASN

PRO

PHE

ASP

4

GLY

PRO

ASN

GLU

ASN

PRO

GLU

ALA

GLU

LEU

5

PRO

LEU

THR

ALA

GLY

LYS

TYR

LEU

TYR

VAL

6

TYR

GLY

ASP

MET

ASP

GLU

ASP

GLY

PHE

TYR

7

GLU

GLY

GLU

LEU

ASP

GLY

GLN

ARG

GLY

8

LEU

VAL

PRO

SER

ASN

PHE

VAL

ASP

PHE

VAL

9

GLN

ASP

ASN

GLU

SER

ARG

LEU

ALA

SER

THR

10

SER

GLY

PRO

SER

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.26 mM; PiNa 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 6.0; pressure: 1 atm; temperature: 298 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:

VNMR v6.1C, Varian - collection

NMRPipe v20020425, Delaglio, F. - processing

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

Kujira v0.8992, Kobayashi, N. - data analysis

CYANA v1.0.7, Guntert, P. - refinement, structure solution

NMR spectrometers:

Varian INOVA 800 MHz