› 4g13

X-ray diffraction
0.8Å resolution

Crystal structure of samarosporin I at 100K

Released:
DOI: 10.2210/pdb4g13/pdb
PDB entry 4g13 coloured by chain, front view.
PDB entry 4g13 coloured by chain, side view.
PDB entry 4g13 coloured by chain, top view.
Source organism: samarospora rostrup
Primary publication:
The crystal structure of samarosporin I at atomic resolution.
Gessmann R, Axford D, Evans G, Brückner H, Petratos K
J Pept Sci 18 678-84 (2012)
PMID: 23019149

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-164480 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
SAMAROSPORIN I Chain: A
Molecule details ›
Chain: A
Length: 16 amino acids
Theoretical weight: 1.56 KDa
Source organism: samarospora rostrup

Ligands and Environments

No bound ligands
4 modified residues:
Ligand AIB 6 x AIB
Ligand HYP 2 x HYP
Ligand DIV 1 x DIV
Ligand PHL 1 x PHL

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2
Unit cell:
a: 45.109Å b: 9.075Å c: 25.067Å
α: 90° β: 115.6° γ: 90°
R-values:
R R work R free
0.078 0.078 0.081

Quick links

Citations

7 citation in other articles

Screening the biosphere: the fungicolous fungus Trichoderma phellinicola, a prolific source of hypophellins, new 17-, 18-, 19-, and 20-residue peptaibiotics.
Röhrich et al. (2013)
6 more

1 mention without citation

A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution.
Gessmann et al. (2017)