› 2mt8

Solution NMR

Solution structure MTAbl13, a grafted MCoTI-II

Released:
DOI: 10.2210/pdb2mt8/pdb
PDB entry 2mt8 coloured by chain, ensemble of 20 models, front view.
PDB entry 2mt8 coloured by chain, ensemble of 20 models, side view.
PDB entry 2mt8 coloured by chain, ensemble of 20 models, top view.
Source organism: synthetic construct
Primary publication:
Design of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold.
Huang YH, Henriques ST, Wang CK, Thorstholm L, Daly NL, Kaas Q, Craik DJ
OpenAccess logo Sci Rep 5 12974 (2015)
PMID: 26264857

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160631 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trypsin inhibitor 2 Chain: A
Molecule details ›
Chain: A
Length: 39 amino acids
Theoretical weight: 4.15 KDa
Source organism: synthetic construct
Expression system: Not provided
UniProt:
  • Canonical: P82409 (Residues: 8-13, 14-34; Coverage: 79%)
Sequence domains: Squash family serine protease inhibitor

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 50%
Refinement method: simulated annealing, molecular dynamics
Expression system: Not provided

Quick links

Citations

11 review citations

New Modalities for Challenging Targets in Drug Discovery.
Valeur et al. (2017)
10 more

2 mentions without citation

General lack of structural characterization of chemically synthesized long peptides.
Boutin et al. (2019)
1 more