BMRB Entry 11299

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PDB ID: 2dil
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11299
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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 of the human Proline-serine-threonine phosphatase-interacting protein 1

Deposition date:

2010-08-09

Original release date:

2011-08-19

Authors:

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

Citation:

Citation: Yoneyama, M.; Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structure of the SH3 domain of the human Proline-serine-threonine phosphatase-interacting protein 1" .

Assembly members:

Assembly members:
SH3 domain, polymer, 69 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: P050919-13

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGAQEYRALYDYTAQ NPDELDLSAGDILEVILEGE DGWWTVERNGQRGFVPGSYL EKLSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	256
15N chemical shifts	65
1H chemical shifts	403

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 69 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ALA

GLN

GLU

2

TYR

ARG

ALA

LEU

TYR

ASP

TYR

THR

ALA

GLN

3

ASN

PRO

ASP

GLU

LEU

ASP

LEU

SER

ALA

GLY

4

ASP

ILE

LEU

GLU

VAL

ILE

LEU

GLU

GLY

GLU

5

ASP

GLY

TRP

THR

VAL

GLU

ARG

ASN

GLY

6

GLN

ARG

GLY

PHE

VAL

PRO

GLY

SER

TYR

LEU

7

GLU

LYS

LEU

SER

GLY

PRO

SER

GLY

Samples:

sample_1: SH3 domian, [U-13C; U-15N], 1.07 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 v20030801, Delaglio, F. - processing

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

Kujira v0.9736, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 800 MHz