Structure of PDB 8slv Chain A Binding Site BS02

Receptor Information
>8slv Chain A (length=562) Species: 7159 (Aedes aegypti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDWWEHGNFYQVYPRSFKDSDGDGIGDLDGVTEKLKYLKDIGMDGVWLS
PIFSSPMADFGYDISNFREIQTEYGDLDAFQRLSDKCKQLGLHLILDFVP
NHTSDQHEYFKKSVQKDETYKDFYVWHPGVHGPNNTKVPPSNWISVFRGS
SWEWNEERQEFYLHQFLKEQPDLNYRNPAVVEEMKNVLRYWLDRGVSGFR
IDAVPYLFESDIIDGRYRNEPESRTTDDPENPAYLVHTQTMDQPETYDMI
YQWRAVLDEYSKTDNRTRIMMTEGYTSLPKIIEFFGNATANGAQIPFNFE
VISNVKKNSTGADFATYVKRWLDAKPANRRSNWVLGNHDNNRLGSRLGEN
KIDLYNIALQTLPDIAVTYYGEEIGMLDQWIPWNETVDPAACRSDEASYS
AYSRDPARTPMQWDSGKNAGFSKAAKTWLPVADNYKTLNVKIQDRARKSH
LKIFKKLTKYRKRQILTEGDIDIKVSGENLLVYKRKVDKVGYVVVALNFG
TEPVALGLSSLFDRADQRMQVVVSSNRVSTPDNVWVDVDNYVLIGESGIV
LQYLWGKNPIVS
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain8slv Chain A Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8slv Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		F164 A407 Y419
Binding residue
(residue number reindexed from 1)		F147 A390 Y402
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.20: alpha-glucosidase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:8slv, PDBe:8slv, PDBj:8slv
PDBsum8slv
PubMed38428508
UniProtP13080|MALT_AEDAE Probable maltase (Gene Name=MAL1)

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