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 18076

Title: NH chemical shift Assignments for AbpSH3 bound to WT Sjl2 peptide (Sjl17)   PubMed: 23251481

Deposition date: 2011-11-13 Original release date: 2013-01-03

Authors: Stollar, Elliott; Forman-Kay, Julie

Citation: Stollar, Elliott; Lin, Hong; Davidson, Alan; Forman-Kay, Julie. "Differential Dynamic Engagement within 24 SH3 Domain: Peptide Complexes Revealed by Co-Linear Chemical Shift Perturbation Analysis."  PLoS ONE 7, e51282-e51282 (2012).

Assembly members:
AbpSH3, polymer, 59 residues, Formula weight is not available
Sjl17, polymer, 17 residues, Formula weight is not available

Natural source:   Common Name: baker   Taxonomy ID: 4932   Superkingdom: not available   Kingdom: not available   Genus/species: Eukaryota Fungi

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
AbpSH3: APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN
Sjl17: KPEKPPVVKKPHYLSVA

Data sets:
Data typeCount
15N chemical shifts65
1H chemical shifts65

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AbpSH31
2Sjl172

Entities:

Entity 1, AbpSH3 59 residues - Formula weight is not available

1   ALAPROTRPALATHRALAGLUTYRASPTYR
2   ASPALAALAGLUASPASNGLULEUTHRPHE
3   VALGLUASNASPLYSILEILEASNILEGLU
4   PHEVALASPASPASPTRPTRPLEUGLYGLU
5   LEUGLULYSASPGLYSERLYSGLYLEUPHE
6   PROSERASNTYRVALSERLEUGLYASN

Entity 2, Sjl17 17 residues - Formula weight is not available

1   LYSPROGLULYSPROPROVALVALLYSLYS
2   PROHISTYRLEUSERVALALA

Samples:

AbpSH3-Sjl17: AbpSH3, [U-100% 15N], 75 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; H2O 90%; Sjl17 1900 uM

sample_conditions_1: ionic strength: 0.189 M; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCAbpSH3-Sjl17isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard, Johnson, One Moon Scientific - chemical shift assignment, data analysis

NMR spectrometers:

  • Varian Unity 500 MHz

Related Database Links:

BMRB 16843 18054 18055 18056 18057 18058 18059 18060 18061 18062 18063 18064 18065 18066 18067 18068 18069 18070 18071 18072 18073 18074 18075 18077 18078 25354 26519
PDB
DBJ GAA21988 GAA25991
EMBL CAA36075 CAA42253 CAY78291 CAA93402 CAA95982 CAY82497
GB AHN96147 AHV79349 AHY79755 AJP37506 AJQ31991 AHY76990 EDN62707 EDV12359 EDZ69710 EEU08737
PRF 1603360A
REF NP_010012 NP_014293
SP P15891 P50942
TPG DAA07557 DAA10440

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