› 7kjf

X-ray diffraction
1.4Å resolution

Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate

Released:
DOI: 10.2210/pdb7kjf/pdb
PDB entry 7kjf coloured by chain, front view.
PDB entry 7kjf coloured by chain, side view.
PDB entry 7kjf coloured by chain, top view.
Source organism: Streptomyces coelicolor
Primary publication:
An Aromatic Cluster in the Active Site of epi-Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Ronnebaum TA, Gardner SM, Christianson DW
Biochemistry 59 4744-4754 (2020)
PMID: 33270439

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate = (+)-epi-isozizaene + diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191758 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epi-isozizaene synthase Chain: A
Molecule details ›
Chain: A
Length: 382 amino acids
Theoretical weight: 43.72 KDa
Source organism: Streptomyces coelicolor
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K499 (Residues: 2-361; Coverage: 100%)
Gene names: SC7E4.19, SCO5222, cyc1
Sequence domains: Terpene synthase family 2, C-terminal metal binding

Ligands and Environments

4 bound ligands:
Ligand MG 3 x MG
Ligand SO4 1 x SO4
Ligand NRD 1 x NRD
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: P21
Unit cell:
a: 51.53Å b: 46.76Å c: 74.82Å
α: 90° β: 98.34° γ: 90°
R-values:
R R work R free
0.195 0.194 0.239
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Decoding Catalysis by Terpene Synthases.
Whitehead et al. (2023)
7 other articles

1 mention without citation

An Aromatic Cluster in the Active Site of epi-Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Ronnebaum et al. (2020)