› 6k16

X-ray diffraction
2.2Å resolution

Crystal Structure of Sesquisabinene B Synthase 1 from Santalum album

Released:
DOI: 10.2210/pdb6k16/pdb
PDB entry 6k16 coloured by chain, front view.
PDB entry 6k16 coloured by chain, side view.
PDB entry 6k16 coloured by chain, top view.
Source organism: Santalum album
Primary publication:
Dynamic coupling analysis on plant sesquiterpene synthases provides leads for the identification of product specificity determinants.
Singh S, Thulasiram HV, Sengupta D, Kulkarni K
Biochem Biophys Res Commun 536 107-114 (2021)
PMID: 33387748

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sesquisabinene B synthase 1 Chain: A
Molecule details ›
Chain: A
Length: 555 amino acids
Theoretical weight: 64.2 KDa
Source organism: Santalum album
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0A0RDR2 (Residues: 18-566; Coverage: 97%)
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2
Unit cell:
a: 141.059Å b: 85.821Å c: 53.399Å
α: 90° β: 97.56° γ: 90°
R-values:
R R work R free
0.2 0.197 0.228
Expression system: Escherichia coli BL21(DE3)

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