BMRB Entry 11404

Name: Solution structure of SH3 domain in Rho-GTPase-activating protein 4
Published: 2011-09-08

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11404

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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 Rho-GTPase-activating protein 4

Deposition date:

2010-09-09

Original release date:

2011-09-08

Authors:

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

Citation:

Citation: Tanabe, W.; Tsuda, K.; Muto, Y.; Inoue, M.; Kigawa, T.; Terada, T.; Shirouzu, M.; Yokoyama, S.. "Solution structure of SH3 domain in Rho-GTPase-activating protein 4" .

Assembly members:

Assembly members:
SH3 domain, polymer, 76 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: P060130-05

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGEGVVEAVACFAYT GRTAQELSFRRGDVLRLHER ASSDWWRGEHNGMRGLIPHK YITLPAGTEKQVVGAG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	301
15N chemical shifts	67
1H chemical shifts	464

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 76 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

GLU

GLY

VAL

2

VAL

GLU

ALA

VAL

ALA

CYS

PHE

ALA

TYR

THR

3

GLY

ARG

THR

ALA

GLN

GLU

LEU

SER

PHE

ARG

4

ARG

GLY

ASP

VAL

LEU

ARG

LEU

HIS

GLU

ARG

5

ALA

SER

ASP

TRP

ARG

GLY

GLU

HIS

6

ASN

GLY

MET

ARG

GLY

LEU

ILE

PRO

HIS

LYS

7

TYR

ILE

THR

LEU

PRO

ALA

GLY

THR

GLU

LYS

8

GLN

VAL

GLY

ALA

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.14 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; ZnCl2 0.05 mM; IDA 1 mM; 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	2EPD
DBJ	BAA09480 BAG10298 BAH11812
EMBL	CAA55394 CAA92213 CAL37504 CAL38100
GB	AAH23626 AAH52303 EAW72777 EAW72778 EAW72782
REF	NP_001158213 NP_001657 XP_003317821 XP_003317822 XP_003804875
SP	P98171
AlphaFold	P98171