BMRB Entry 10337

Name: Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1
Published: 2012-08-14

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PDB ID: 2e5k
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR10337
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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 SH3 domain in Suppressor of T-cell receptor signaling 1

Deposition date:

2011-01-13

Original release date:

2012-08-14

Authors:

Sukegawa, S.; Tsuda, K.; Muto, Y.; Inoue, M.; Kigawa, T.; Terada, T.; Shirouzu, M.; Yokoyama, S.

Citation:

Citation: Sukegawa, S.; Tsuda, K.; Muto, Y.; Inoue, M.; Kigawa, T.; Terada, T.; Shirouzu, M.; Yokoyama, S.. "Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1" .

Assembly members:

Assembly members:
SH3 domain, polymer, 94 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: Escherichia coli Vector: P050704-22

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGSRDIRFANHETLQ VIYPYTPQNDDELELVPGDF IFMSPMEQTSTSEGWIYGTS LTTGCSGLLPENYITKADEC STWIFHGSSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	356
15N chemical shifts	79
1H chemical shifts	539

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 94 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

SER

ARG

ASP

2

ILE

ARG

PHE

ALA

ASN

HIS

GLU

THR

LEU

GLN

3

VAL

ILE

TYR

PRO

TYR

THR

PRO

GLN

ASN

ASP

4

ASP

GLU

LEU

GLU

LEU

VAL

PRO

GLY

ASP

PHE

5

ILE

PHE

MET

SER

PRO

MET

GLU

GLN

THR

SER

6

THR

SER

GLU

GLY

TRP

ILE

TYR

GLY

THR

SER

7

LEU

THR

GLY

CYS

SER

GLY

LEU

PRO

8

GLU

ASN

TYR

ILE

THR

LYS

ALA

ASP

GLU

CYS

9

SER

THR

TRP

ILE

PHE

HIS

GLY

SER

GLY

10

PRO

SER

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.18 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 v20060702, 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. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	2E5K
DBJ	BAB85545 BAC11468 BAC25403 BAC28714 BAC29178
GB	AAH07541 AAH53436 AAL16953 AIC52640 EAW67531
REF	NP_001178721 NP_001193057 NP_001248215 NP_116262 NP_789830
SP	Q8BGG7 Q8TF42
TPG	DAA22276
AlphaFold	Q8BGG7 Q8TF42