› 2rqo

Solution NMR

Solution structure of Polytheonamide B

Released:
DOI: 10.2210/pdb2rqo/pdb
PDB entry 2rqo coloured by chain, ensemble of 20 models, front view.
PDB entry 2rqo coloured by chain, ensemble of 20 models, side view.
PDB entry 2rqo coloured by chain, ensemble of 20 models, top view.
Source organism: Theonella sp.
Primary publication:
Solution structure of polytheonamide B, a highly cytotoxic nonribosomal polypeptide from marine sponge.
Hamada T, Matsunaga S, Fujiwara M, Fujita K, Hirota H, Schmucki R, Güntert P, Fusetani N
J Am Chem Soc 132 12941-5 (2010)
PMID: 20795624

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163235 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
polytheonamide B Chain: A
Molecule details ›
Chain: A
Length: 49 amino acids
Theoretical weight: 5.03 KDa
Source organism: Theonella sp.

Ligands and Environments

No bound ligands
13 modified residues:
Ligand I2M 1 x I2M
Ligand TBG 5 x TBG
Ligand TDD 3 x TDD
Ligand DAL 1 x DAL
Ligand MND 6 x MND
Ligand HVA 1 x HVA
Ligand LMQ 1 x LMQ
Ligand DHV 2 x DHV
Ligand HTN 2 x HTN
Ligand DSN 1 x DSN
Ligand DSG 2 x DSG
Ligand M2S 1 x M2S
Ligand 2TL 1 x 2TL

Experiments and Validation Details

Entry percentile scores
Refinement method: TORSION ANGLE DYNAMICS, distance geometry

Quick links

Citations

8 review citations

Ribosomally synthesized and post-translationally modified peptide natural products: overview and recommendations for a universal nomenclature.
Arnison et al. (2013)
7 more

6 mentions without citation

Genome mining methods to discover bioactive natural products.
Bauman et al. (2021)
5 more