› 2jue

Solution NMR

Solution structure of the all-D kalata B1

Released:
DOI: 10.2210/pdb2jue/pdb
PDB entry 2jue coloured by chain, ensemble of 20 models, front view.
PDB entry 2jue coloured by chain, ensemble of 20 models, side view.
PDB entry 2jue coloured by chain, ensemble of 20 models, top view.
Source organism: synthetic construct
Primary publication:
A Synthetic mirror image of kalata B1 reveals that cyclotide activity is independent of a protein receptor.
Sando L, Henriques ST, Foley F, Simonsen SM, Daly NL, Hall KN, Gustafson KR, Aguilar MI, Craik DJ
Chembiochem 12 2456-62 (2011)
PMID: 21928440

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157444 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kalata-B1 Chain: A
Molecule details ›
Chain: A
Length: 29 amino acids
Theoretical weight: 2.92 KDa
Source organism: synthetic construct
Expression system: Not provided
UniProt:
  • Canonical: P56254 (Residues: 93-120; Coverage: 28%)
Gene name: OAK1
Sequence domains: Cyclotide family

Ligands and Environments

No bound ligands
10 modified residues:
Ligand DCY 6 x DCY
Ligand DGL 1 x DGL
Ligand DTH 5 x DTH
Ligand DVA 3 x DVA
Ligand DSG 2 x DSG
Ligand DPR 3 x DPR
Ligand DSN 1 x DSN
Ligand DTR 1 x DTR
Ligand DAR 1 x DAR
Ligand DLE 1 x DLE

Experiments and Validation Details

Entry percentile scores
Refinement method: torsion angle dynamics
Expression system: Not provided

Quick links

Citations

2 review citations

Cyclotides as a basis for drug design.
Craik et al. (2012)
1 more

1 mention without citation

Harnessing cyclotides to design and develop novel peptide GPCR ligands.
Muratspahić et al. (2020)