BMRB Entry 50104

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR50104

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments of human Grb2 N-terminal SH3 domain in complex with Sos1-derived peptide
Deposition date:
2019-11-29
Original release date:
2020-01-13
Authors:
Luzik, Dmitrii; Rogacheva, Olga; Izmailov, Sergei; Indeykina, Maria; Kononikhin, Alexei; Skrynnikov, Nikolai
Citation:

Citation: Luzik, Dmitrii; Rogacheva, Olga; Izmailov, Sergei; Indeykina, Maria; Kononikhin, Alexei; Skrynnikov, Nikolai. "Molecular Dynamics model of peptide-protein conjugation: case study of covalent complex between Sos1 peptide and N-terminal SH3 domain from Grb2"  Sci. Rep. 9, 20219-20219 (2019).
PubMed: 31882608

Assembly members:

Assembly members:
entity_1, polymer, 74 residues, Formula weight is not available
entity_2, polymer, 11 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: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGHHHHHHGLVPRGSEAIAK YDFKATADDELSFKRGDILK VLNEECDQNWYKAELNGKDG FIPKNYIEMKPHPG
entity_2: VPPPVPPRRRC

Data sets:
Data typeCount
13C chemical shifts149
15N chemical shifts51
1H chemical shifts51

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Grb2 N-SH31
2Sos1C2

Entities:

Entity 1, Grb2 N-SH3 74 residues - Formula weight is not available

Residues 1-15 represent a non-native affinity tag and cleavage site for thrombin

1   METGLYHISHISHISHISHISHISGLYLEU
2   VALPROARGGLYSERGLUALAILEALALYS
3   TYRASPPHELYSALATHRALAASPASPGLU
4   LEUSERPHELYSARGGLYASPILELEULYS
5   VALLEUASNGLUGLUCYSASPGLNASNTRP
6   TYRLYSALAGLULEUASNGLYLYSASPGLY
7   PHEILEPROLYSASNTYRILEGLUMETLYS
8   PROHISPROGLY

Entity 2, Sos1C 11 residues - Formula weight is not available

1   VALPROPROPROVALPROPROARGARGARG
2   CYS

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