› 6e97

X-ray diffraction
1.8Å resolution

Crystal structure of the aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with DHB-adenylate

Released:
DOI: 10.2210/pdb6e97/pdb
PDB 6e97 coloured by chain and viewed from the front.
PDB 6e97 coloured by chain and viewed from the side.
PDB 6e97 coloured by chain and viewed from the top.
Source organism: Thermobifida fusca YX
Entry authors: Bruner SD, Zagulyaeva AA

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2,3-dihydroxybenzoate-AMP ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 546 amino acids
Theoretical weight: 59.75 KDa
Source organism: Thermobifida fusca YX
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q47NR5 (Residues: 1-543; Coverage: 100%)
Gene name: Tfu_1871
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand J2J 2 x J2J
Ligand SO4 1 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: C2
Unit cell:
a: 206.127Å b: 51.327Å c: 111.363Å
α: 90° β: 119.88° γ: 90°
R-values:
R R work R free
0.194 0.184 0.217
Expression system: Escherichia coli BL21(DE3)

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