Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
alkaline phosphatases
choline
conformational gating
promiscuity
sulfatases
Journal
Acta crystallographica. Section D, Structural biology
ISSN: 2059-7983
Titre abrégé: Acta Crystallogr D Struct Biol
Pays: United States
ID NLM: 101676043
Informations de publication
Date de publication:
01 May 2022
01 May 2022
Historique:
received:
13
12
2021
accepted:
04
04
2022
entrez:
3
5
2022
pubmed:
4
5
2022
medline:
6
5
2022
Statut:
ppublish
Résumé
Choline-O-sulfatase (COSe; EC 3.1.6.6) is a member of the alkaline phosphatase (AP) superfamily, and its natural function is to hydrolyze choline-O-sulfate into choline and sulfate. Despite its natural function, the major interest in this enzyme resides in the landmark catalytic/substrate promiscuity of sulfatases, which has led to attention in the biotechnological field due to their potential in protein engineering. In this work, an in-depth structural analysis of wild-type Sinorhizobium (Ensifer) meliloti COSe (SmeCOSe) and its C54S active-site mutant is reported. The binding mode of this AP superfamily member to both products of the reaction (sulfate and choline) and to a substrate-like compound are shown for the first time. The structures further confirm the importance of the C-terminal extension of the enzyme in becoming part of the active site and participating in enzyme activity through dynamic intra-subunit and inter-subunit hydrogen bonds (Asn146
Identifiants
pubmed: 35503214
pii: S2059798322003709
doi: 10.1107/S2059798322003709
pmc: PMC9063841
doi:
Substances chimiques
Ligands
0
Sulfates
0
Alkaline Phosphatase
EC 3.1.3.1
Sulfatases
EC 3.1.6.-
Choline
N91BDP6H0X
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
669-682Subventions
Organisme : Agencia Estatal de Investigación
ID : PID2020-116261GB-I00
Organisme : Agencia Estatal de Investigación
ID : RTI2018-097991-B-I00
Organisme : Junta de Andalucía
ID : PY20-00149
Organisme : Junta de Andalucía
ID : UAL18-BIO-B005-B
Organisme : Universidad de Granada
ID : PPJI2017-1
Informations de copyright
open access.
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