› 5a7g

X-ray diffraction
1.48Å resolution

Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1

Released:
DOI: 10.2210/pdb5a7g/pdb
PDB entry 5a7g coloured by chain, front view.
PDB entry 5a7g coloured by chain, side view.
PDB entry 5a7g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Arena de Souza V, Scott DJ, Nettleship JE, Rahman N, Charlton MH, Walsh MA, Owens RJ
PLoS One 10 e0143919 (2015)
PMID: 26657071

Function and Biology Details

Reactions catalysed: 
A carboxylic ester + H(2)O = an alcohol + a carboxylate
A steryl ester + H(2)O = a sterol + a fatty acid
4-methylumbelliferyl acetate + H(2)O = 4-methylumbelliferone + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149880 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Liver carboxylesterase 1 Chain: A
Molecule details ›
Chain: A
Length: 532 amino acids
Theoretical weight: 58.66 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P23141 (Residues: 21-553; Coverage: 97%)
Gene names: CES1, CES2, SES1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R3
Unit cell:
a: 115.39Å b: 115.39Å c: 128.14Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.131 0.129 0.173
Expression system: Homo sapiens

Quick links

Citations

2 review citations

Carboxylesterase 1 and Precision Pharmacotherapy: Pharmacogenetics and Nongenetic Regulators.
Her et al. (2020)
1 more

1 mention without citation

Discovery and Characterization of the Biflavones From Ginkgo biloba as Highly Specific and Potent Inhibitors Against Human Carboxylesterase 2.
Song et al. (2021)