BMRB Entry 51234

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51234

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Title:
CI2 I57V backbone and methyl assignment
Deposition date:
2021-12-17
Original release date:
2022-01-18
Authors:
Gavrilov, Yulian; Teilum, Kaare
Citation:

Citation: Gavrilov, Yulian; Kummerer, Felix; Orioli, Simone; Prestel, Andreas; Lindorff-Larsen, Kresten; Teilum, Kaare. "Double Mutant of Chymotrypsin Inhibitor 2 Stabilized through Increased Conformational Entropy"  Biochemistry 61, 160-170 (2022).
PubMed: 35019273

Assembly members:

Assembly members:
entity_1, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Barley   Taxonomy ID: 4513   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hordeum vulgare

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET_CI2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKTEWPELVGKSVEEAKKVI LQDKPEAQIIVLPVGTIVTM EYRIDRVRLFVDKLDNVAQV PRVG

Data typeCount
13C chemical shifts112
15N chemical shifts59
1H chemical shifts203
T1 relaxation values118
T2 relaxation values118
heteronuclear NOE values118

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CI2 I57V1

Entities:

Entity 1, CI2 I57V 64 residues - Formula weight is not available

1   METLYSTHRGLUTRPPROGLULEUVALGLY
2   LYSSERVALGLUGLUALALYSLYSVALILE
3   LEUGLNASPLYSPROGLUALAGLNILEILE
4   VALLEUPROVALGLYTHRILEVALTHRMET
5   GLUTYRARGILEASPARGVALARGLEUPHE
6   VALASPLYSLEUASPASNVALALAGLNVAL
7   PROARGVALGLY

Related Database Links:

PDB 7A3M

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