› 7w5j

X-ray diffraction
2.05Å resolution

The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2

Released:
DOI: 10.2210/pdb7w5j/pdb
PDB entry 7w5j coloured by chain, front view.
PDB entry 7w5j coloured by chain, side view.
PDB entry 7w5j coloured by chain, top view.
Source organism: Trichoderma atroviride
Primary publication:
Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Wang T, Yang Y, He M, Liu M, Huang JW, Min J, Chen CC, Liu Y, Zhang L, Guo RT
Int J Biol Macromol 209 1784-1791 (2022)
PMID: 35504416

Function and Biology Details

Reactions catalysed: 
(2E,6E)-farnesyl diphosphate = alpha-humulene + diphosphate
(2E,6E)-farnesyl diphosphate = (E)-2-epi-beta-caryophyllene + diphosphate
(2E,6E)-farnesyl diphosphate + H(2)O = (+)-isoafricanol + diphosphate
(2E,6E)-farnesyl diphosphate + H(2)O = (+)-(2S,3R,9R)-pristinol + diphosphate
(2E,6E)-farnesyl diphosphate = (-)-beta-caryophyllene + 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-498184 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Terpene cyclase 6 Chains: A, B
Molecule details ›
Chains: A, B
Length: 397 amino acids
Theoretical weight: 45.69 KDa
Source organism: Trichoderma atroviride
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A5S9I252 (Residues: 1-386; Coverage: 100%)
Gene name: tatc6
Sequence domains: Terpene synthase family 2, C-terminal metal binding

Ligands and Environments

6 bound ligands:
Ligand FAR 1 x FAR
Ligand POP 1 x POP
Ligand MLI 5 x MLI
Ligand GOL 4 x GOL
Ligand MG 2 x MG
Ligand FPP 1 x FPP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER METALJET
Spacegroup: P21
Unit cell:
a: 54.528Å b: 98.506Å c: 72.479Å
α: 90° β: 94.48° γ: 90°
R-values:
R R work R free
0.144 0.142 0.184
Expression system: Escherichia coli BL21(DE3)

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