› 1dtu

X-ray diffraction
2.4Å resolution

BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE: A MUTANT Y89D/S146P COMPLEXED TO AN HEXASACCHARIDE INHIBITOR

Released:
DOI: 10.2210/pdb1dtu/pdb
PDB entry 1dtu coloured by chain, front view.
PDB entry 1dtu coloured by chain, side view.
PDB entry 1dtu coloured by chain, top view.
Source organism: Niallia circulans
Primary publication:
Rational design of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 to increase alpha-cyclodextrin production.
van der Veen BA, Uitdehaag JC, Penninga D, van Alebeek GJ, Smith LM, Dijkstra BW, Dijkhuizen L
J Mol Biol 296 1027-38 (2000)
PMID: 10686101

Function and Biology Details

Reaction catalysed: 
Cyclizes part of a (1->4)-alpha-D-glucan chain by formation of a (1->4)-alpha-D-glucosidic bond
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155054 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (5 distinct):
Cyclomaltodextrin glucanotransferase Chain: A
Molecule details ›
Chain: A
Length: 686 amino acids
Theoretical weight: 74.54 KDa
Source organism: Niallia circulans
Expression system: Bacillus subtilis
UniProt:
  • Canonical: P43379 (Residues: 28-713; Coverage: 100%)
Gene name: cgt
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: GLC, G6D
Carbohydrate polymer
Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: GLC, BGC
Carbohydrate polymer
2 bound ligands:
Ligand CA 2 x CA
Ligand ADH 1 x ADH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P212121
Unit cell:
a: 120.445Å b: 111.16Å c: 65.758Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.206 0.248
Expression system: Bacillus subtilis

Quick links

Citations

10 review citations

Relationship of sequence and structure to specificity in the alpha-amylase family of enzymes.
MacGregor et al. (2001)
9 more