› 1cpu

X-ray diffraction
2Å resolution

SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT

Released:
DOI: 10.2210/pdb1cpu/pdb
PDB entry 1cpu coloured by chain, front view.
PDB entry 1cpu coloured by chain, side view.
PDB entry 1cpu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Brayer GD, Sidhu G, Maurus R, Rydberg EH, Braun C, Wang Y, Nguyen NT, Overall CM, Withers SG
Biochemistry 39 4778-91 (2000)
PMID: 10769135

Function and Biology Details

Reaction catalysed: 
Endohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D-glucose units
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138163 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Pancreatic alpha-amylase Chain: A
Molecule details ›
Chain: A
Length: 496 amino acids
Theoretical weight: 55.93 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P04746 (Residues: 16-511; Coverage: 100%)
Gene name: AMY2A
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC, AGL
Carbohydrate polymer
Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
4 bound ligands:
Ligand NAG 1 x NAG
Ligand CA 1 x CA
Ligand CL 1 x CL
Ligand HMC 1 x HMC
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 52.91Å b: 68.9Å c: 131.77Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.17 not available
Expression system: Komagataella pastoris

Quick links

Citations

8 review citations

A review on structure-activity relationship of dietary polyphenols inhibiting α-amylase.
Xiao et al. (2013)
7 more

4 mentions without citation

Modeling electronic and optical properties of III-V quantum dots-selected recent developments.
Mittelstädt et al. (2022)
3 more