X-ray diffraction
2.14Å resolution

Heterocyclase in complex with substrate and Cofactor

Entry authors: Koehnke J, Naismith JH

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
YcaO domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 775 amino acids
Theoretical weight: 86.15 KDa
Source organism: Lyngbya aestuarii
Expression system: Escherichia coli BL21
  • Canonical: A0YXD2 (Residues: 1-775; Coverage: 100%)
Gene name: L8106_29055
Sequence domains: YcaO cyclodehydratase, ATP-ad Mg2+-binding
Patellamide protein Chains: C, D
Molecule details ›
Chains: C, D
Length: 64 amino acids
Theoretical weight: 6.97 KDa
Source organism: uncultured Prochloron sp.
Expression system: Escherichia coli BL21
  • Canonical: A0MHA3 (Residues: 1-42, 43-54; Coverage: 76%)
Gene name: patE
Sequence domains: Family of unknown function (DUF5837)

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P212121
Unit cell:
a: 81.76Å b: 116.15Å c: 183.54Å
α: 90° β: 90° γ: 90°
R R work R free
0.2 0.198 0.244
Expression system: Escherichia coli BL21