BMRB Entry 16141

Name: NMR solution structure of the HACS1 SH3 domain
Published: 2012-08-07

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PDB ID: 6uzj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16141
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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:

NMR solution structure of the HACS1 SH3 domain

Deposition date:

2009-01-27

Original release date:

2012-08-07

Authors:

Donaldson, Logan

Citation:

Citation: Donaldson, Logan. "NMR structure of the HACS1 SH3 domain" .

Assembly members:

Assembly members:
HACS1 SH3 domain, polymer, 63 residues, 7092.297 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDEST586

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HACS1 SH3 domain: GPFCGRARVHTDFTPSPYDT DSLKIKKGDIIDIICKTPMG MWTGMLNNKVGNFKFIYVDV ISE

Data sets:

assigned_chemical_shifts
- assignments_hacs1

Data type	Count
13C chemical shifts	249
15N chemical shifts	60
1H chemical shifts	388

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HACS1 SH3 domain	1

Entities:

Entity 1, HACS1 SH3 domain 63 residues - 7092.297 Da.

1

GLY

PRO

PHE

CYS

GLY

ARG

ALA

ARG

VAL

HIS

2

THR

ASP

PHE

THR

PRO

SER

PRO

TYR

ASP

THR

3

ASP

SER

LEU

LYS

ILE

LYS

GLY

ASP

ILE

4

ILE

ASP

ILE

CYS

LYS

THR

PRO

MET

GLY

5

MET

TRP

THR

GLY

MET

LEU

ASN

LYS

VAL

6

GLY

ASN

PHE

LYS

PHE

ILE

TYR

VAL

ASP

VAL

7

ILE

SER

GLU

Samples:

sample_1: HACS1SH3, [U-98% 13C; U-98% 15N], 0.6 mM; D2O 10%; H2O 90%; sodium azide 0.05%; sodium chloride 150 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMRView v5.1, Johnson, One Moon Scientific - peak picking

X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Varian NMRS 600 MHz

PDB	2KEA
DBJ	BAB84358 BAG54155
EMBL	CAB90391 CDG37814
GB	AAG23355 AAG23356 AAH29112 AAI03063 AAK07746
REF	NP_001030481 NP_001243299 NP_001273452 NP_071419 NP_570834
SP	Q9NSI8
TPG	DAA33638
AlphaFold	Q9NSI8