BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16141

Title: NMR solution structure of the HACS1 SH3 domain

Deposition date: 2009-01-27 Original release date: 2012-08-07

Authors: Donaldson, Logan

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

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

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

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

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

Data sets:
Data typeCount
13C chemical shifts249
15N chemical shifts60
1H chemical shifts388

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HACS1 SH3 domain1

Entities:

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

1   GLYPROPHECYSGLYARGALAARGVALHIS
2   THRASPPHETHRPROSERPROTYRASPTHR
3   ASPSERLEULYSILELYSLYSGLYASPILE
4   ILEASPILEILECYSLYSTHRPROMETGLY
5   METTRPTHRGLYMETLEUASNASNLYSVAL
6   GLYASNPHELYSPHEILETYRVALASPVAL
7   ILESERGLU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_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

Related Database Links:

PDB
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

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts