› 6al8

X-ray diffraction
1.64Å resolution

Crystal structure HpiC1 Y101F/F138S

Released:
DOI: 10.2210/pdb6al8/pdb
PDB entry 6al8 coloured by chain, front view.
PDB entry 6al8 coloured by chain, side view.
PDB entry 6al8 coloured by chain, top view.
Source organism: Fischerella sp. ATCC 43239
Primary publication:
Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Newmister SA, Li S, Garcia-Borràs M, Sanders JN, Yang S, Lowell AN, Yu F, Smith JL, Williams RM, Houk KN, Sherman DH
Nat Chem Biol 14 345-351 (2018)
PMID: 29531360

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-492567 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
12-epi-hapalindole C/U synthase Chains: A, B, D, E
Molecule details ›
Chains: A, B, D, E
Length: 225 amino acids
Theoretical weight: 24.45 KDa
Source organism: Fischerella sp. ATCC 43239
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A076NBW8 (Residues: 26-227; Coverage: 100%)
Gene name: hpiU5
Sequence domains: HpiC1 cyclase

Ligands and Environments

4 bound ligands:
Ligand CA 9 x CA
Ligand EDO 1 x EDO
Ligand DMS 1 x DMS
Ligand TRS 1 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 61.99Å b: 47.951Å c: 174.765Å
α: 90° β: 97.05° γ: 90°
R-values:
R R work R free
0.225 0.223 0.254
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Enzymatic Cascade Reactions in Biosynthesis.
Walsh et al. (2019)
4 more

3 mentions without citation

Genetic diversity revealed by single nucleotide polymorphism markers in a worldwide germplasm collection of durum wheat.
Ren et al. (2013)
2 more