BMRB Entry 10240

Name: Solution structures of the SH3 domain of human Src substrate cortactin
Published: 2009-11-03

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PDB ID: 1x69
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR10240
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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 structures of the SH3 domain of human Src substrate cortactin

Deposition date:

2008-10-24

Original release date:

2009-11-03

Authors:

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

Citation:

Citation: Sato, M.; Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structures of the SH3 domain of human Src substrate cortactin" .

Assembly members:

Assembly members:
SH3 domain, polymer, 79 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 Vector: P040510-08

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGTYDEYENDLGITA VALYDYQAAGDDEISFDPDD IITNIEMIDDGWWRGVCKGR YGLFPANYVELRQSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	325
15N chemical shifts	79
1H chemical shifts	486

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 79 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

THR

TYR

ASP

2

GLU

TYR

GLU

ASN

ASP

LEU

GLY

ILE

THR

ALA

3

VAL

ALA

LEU

TYR

ASP

TYR

GLN

ALA

GLY

4

ASP

GLU

ILE

SER

PHE

ASP

PRO

ASP

5

ILE

THR

ASN

ILE

GLU

MET

ILE

ASP

6

GLY

TRP

ARG

GLY

VAL

CYS

LYS

GLY

ARG

7

TYR

GLY

LEU

PHE

PRO

ALA

ASN

TYR

VAL

GLU

8

LEU

ARG

GLN

SER

GLY

PRO

SER

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1 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 v2.6, 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. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	1X69 2D1X
DBJ	BAD96333 BAE02409 BAF83786 BAG52416 BAG65370
EMBL	CAH93452
GB	AAA49031 AAA58455 AAB26248 AAH08799 AAH33889
REF	NP_001068755 NP_001127021 NP_001171669 NP_001253213 NP_005222
SP	Q01406 Q14247
TPG	DAA13535
AlphaFold	Q01406 Q14247