› 7crn

X-ray diffraction
2.26Å resolution

The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization

Released:
DOI: 10.2210/pdb7crn/pdb
PDB entry 7crn coloured by chain, front view.
PDB entry 7crn coloured by chain, side view.
PDB entry 7crn coloured by chain, top view.
Source organism: Streptomyces abietis
Primary publication:
Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Yu J, Juan S, Chi C, Liu T, Geng T, Cai Z, Dong W, Shi C, Ma X, Zhang Z, Ma X, Xing B, Jin H, Zhang L, Dong S, Yang D, Ma M
ACS Catalysis 11 11733-11741 (2021)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-103498 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carrier domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 278 amino acids
Theoretical weight: 30.22 KDa
Source organism: Streptomyces abietis
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A1J0R317 (Residues: 3634-3908; Coverage: 7%)
Gene name: nrps4
Sequence domains: Thioesterase domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: C2221
Unit cell:
a: 68.132Å b: 117.665Å c: 209.793Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.206
Expression system: Escherichia coli

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