› 3bmw

X-ray diffraction
1.6Å resolution

Cyclodextrin glycosyl transferase from Thermoanerobacterium thermosulfurigenes EM1 mutant S77P complexed with a maltoheptaose inhibitor

Released:
DOI: 10.2210/pdb3bmw/pdb
PDB entry 3bmw coloured by chain, front view.
PDB entry 3bmw coloured by chain, side view.
PDB entry 3bmw coloured by chain, top view.
Source organism: Thermoanaerobacterium thermosulfurigenes
Primary publication:
Elimination of competing hydrolysis and coupling side reactions of a cyclodextrin glucanotransferase by directed evolution.
Kelly RM, Leemhuis H, Rozeboom HJ, van Oosterwijk N, Dijkstra BW, Dijkhuizen L
Biochem J 413 517-25 (2008)
PMID: 18422488

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-150856 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Cyclomaltodextrin glucanotransferase Chain: A
Molecule details ›
Chain: A
Length: 683 amino acids
Theoretical weight: 75.51 KDa
Source organism: Thermoanaerobacterium thermosulfurigenes
Expression system: Bacillus subtilis
UniProt:
  • Canonical: P26827 (Residues: 28-710; Coverage: 100%)
Gene name: amyA
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
5 bound ligands:
Ligand ACI 1 x ACI
Ligand CA 2 x CA
Ligand CL 1 x CL
Ligand SO4 3 x SO4
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P212121
Unit cell:
a: 73.791Å b: 96.582Å c: 115.241Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.145 0.144 0.165
Expression system: Bacillus subtilis

Quick links

Citations

10 review citations

Engineering of cyclodextrin glucanotransferases and the impact for biotechnological applications.
Leemhuis et al. (2010)
9 more

2 mentions without citation

Defining structural and evolutionary modules in proteins: a community detection approach to explore sub-domain architecture.
Hleap et al. (2013)
1 more