BMRB Entry 11217

Name: Solution structure of the first SH3 domain of Stac protein
Published: 2011-07-21

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PDB ID: 2dl4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11217
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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 Stac protein

Deposition date:

2010-07-22

Original release date:

2011-07-21

Authors:

Qin, X.; Suetake, T.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Qin, X.; Suetake, T.; Hayashi, F.; Yokoyama, S.. "Solution structure of the first SH3 domain of Stac protein" .

Assembly members:

Assembly members:
SH3 domain, polymer, 68 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: P050613-10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGNTYVALYKFVPQE NEDLEMRPGDIITLLEDSNE DWWKGKIQDRIGFFPANFVQ RLSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	289
15N chemical shifts	68
1H chemical shifts	447

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3 domain of Stac protein	1

Entities:

Entity 1, SH3 domain of Stac protein 68 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASN

THR

TYR

2

VAL

ALA

LEU

TYR

LYS

PHE

VAL

PRO

GLN

GLU

3

ASN

GLU

ASP

LEU

GLU

MET

ARG

PRO

GLY

ASP

4

ILE

THR

LEU

GLU

ASP

SER

ASN

GLU

5

ASP

TRP

LYS

GLY

LYS

ILE

GLN

ASP

ARG

6

ILE

GLY

PHE

PRO

ALA

ASN

PHE

VAL

GLN

7

ARG

LEU

SER

GLY

PRO

SER

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.09 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:

VNMR v6.1C, Varian - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.9296, Kobayashi N. - data analysis

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

NMR spectrometers:

Varian INOVA 800 MHz

PDB	2DL4
DBJ	BAA13152 BAG36275 BAG61208 BAG63925 BAI47349
GB	AAH20221 ABM83106 ABM86300 ABM86301 AIC55179
REF	NP_001278978 NP_003140 XP_001101503 XP_002803096 XP_003826166
SP	Q99469
AlphaFold	Q99469