BMRB Entry 36024

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PDB ID: 5h1i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36024
MolProbity Validation Chart

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Title:
NMR structure of TIBA, a chimera of SFTI
Deposition date:
2016-10-10
Original release date:
2017-07-31
Authors:
Xiao, T.; Tam, J.
Citation:

Citation: Qiu, Y.; Taichi, M.; Wei, N.; Yang, H.; Luo, K.; Tam, J.. "An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor."  J. Med. Chem. 60, 504-510 (2017).
PubMed: 27977181

Assembly members:

Assembly members:
Bradykinin-trypsin inhibitor secondary loop chimera, polymer, 18 residues, 1944.387 Da.

Natural source:

Natural source:   Common Name: Helianthus annuus   Taxonomy ID: 4232   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Helianthus annuus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bradykinin-trypsin inhibitor secondary loop chimera: CKRPPGFSPLCTKSIPPI

Data sets:
Data typeCount
1H chemical shifts115

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 18 residues - 1944.387 Da.

1   CYSLYSARGPROPROGLYPHESERPROLEU
2   CYSTHRLYSSERILEPROPROILE