BMRB Entry 11228

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PDB ID: 2ysq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11228
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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 SH3 domain from Rho guanine nucleotide exchange factor 9

Deposition date:

2010-07-23

Original release date:

2011-08-03

Authors:

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

Citation:

Citation: Qin, X.; Hayashi, F.; Yokoyama, S.. "Solution structure of the SH3 domain from Rho guanine nucleotide exchange factor 9" .

Assembly members:

Assembly members:
SH3 domain, polymer, 81 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: P050919-06

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGDSIVSAEAVWDHV TMANRELAFKAGDVIKVLDA SNKDWWWGQIDDEEGWFPAS FVRLWVNQEDEVEEGSGPSS G

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	330
15N chemical shifts	83
1H chemical shifts	506

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 81 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASP

SER

ILE

2

VAL

SER

ALA

GLU

ALA

VAL

TRP

ASP

HIS

VAL

3

THR

MET

ALA

ASN

ARG

GLU

LEU

ALA

PHE

LYS

4

ALA

GLY

ASP

VAL

ILE

LYS

VAL

LEU

ASP

ALA

5

SER

ASN

LYS

ASP

TRP

GLY

GLN

ILE

6

ASP

GLU

GLY

TRP

PHE

PRO

ALA

SER

7

PHE

VAL

ARG

LEU

TRP

VAL

ASN

GLN

GLU

ASP

8

GLU

VAL

GLU

GLY

SER

GLY

PRO

SER

9

GLY

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 0.46 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 13C-separated NOESY	sample_1	isotropic	condition_1
3D 15N-separated NOESY	sample_1	isotropic	condition_1

Software:

VNMR v6.1C, Varian - collection

NMRPipe v20030801, 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:

Varian INOVA 800 MHz

PDB	2YSQ
DBJ	BAA24854 BAC30147 BAC65562 BAE24002 BAE37525
EMBL	CAH90157
GB	AAI17407 AAI41386 AAX46427 ADR83209 AIC50931
REF	NP_001028501 NP_001030495 NP_001125046 NP_001277313 NP_001277314
SP	O43307 Q3UTH8 Q58DL7 Q5RDK0
TPG	DAA12786
AlphaFold	O43307 Q3UTH8 Q58DL7 Q5RDK0