› 6ocn

X-ray diffraction
1.15Å resolution

Montbretin A analogue M06-MbA in complex with Human pancreatic alpha-amylase

Released:
DOI: 10.2210/pdb6ocn/pdb
PDB entry 6ocn coloured by chain, front view.
PDB entry 6ocn coloured by chain, side view.
PDB entry 6ocn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic α-amylase.
Tysoe CR, Caner S, Calvert MB, Win-Mason A, Brayer GD, Withers SG
OpenAccess logo Chem Sci 10 11073-11077 (2019)
PMID: 32206255

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138163 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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:

Ligands and Environments

4 bound ligands:
Ligand NAG 1 x NAG
Ligand ZXY 1 x ZXY
Ligand CL 1 x CL
Ligand CA 1 x CA
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 52.31Å b: 68.02Å c: 130.53Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.1 0.099 0.117
Expression system: Komagataella pastoris

Quick links

Citations

1 citations in other articles

In vitro and in silico studies of bis (indol-3-yl) methane derivatives as potential α-glucosidase and α-amylase inhibitors.
Zheng et al. (2021)

5 mentions without citation

Flavonoids as dual-target inhibitors against α-glucosidase and α-amylase: a systematic review of in vitro studies.
Lam et al. (2024)
4 more