Structure of PDB 5yqs Chain B Binding Site BS07

Receptor Information
>5yqs Chain B (length=754) Species: 510516 (Aspergillus oryzae RIB40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPRYKDPSVPVEERVTDLLGRMTLEEKMSQLIQGDITNWMNETTGEFNLT
GLEWSTKMRGGMFYVGYPVPWDYIADNVKKAQDYILQNTTLGIPAIVQTE
SLHGFLIGNATIYNSPIGFACSFNPELIEKMARLIGQEASALGVNHVMGP
VVDLARELRFGRVEETYGEDPFLAGEIGYHYTKGIQSHNISANVKHFVGF
SQPEQGLNTAPVHGGERYLRTTWLPSFKRAIMDAGAWSIMSAYHSYDGIP
AVADYHTLTEILREEWGYKYWVTSDAGASDRVCTAFKLCRADPIDKEAVT
LAILPAGNDVEMGGGSYNFETIIDLVNAGKLDIEIVNTAVSRVLRAKFEM
GLFENPYNAAPASEWNKLIHTQEAVDLARELDRESIVLLENHDNALPLKK
SGSIAVIGPMAHGFMNYGDYVVYESQYRGVTPLDGIKAAVGDKATINYAQ
GCERWSNDQSGFAEAVEAAKKSDVAVVVVGTWSRDQKELWAGLNATTGEH
VDVNSLSLVGAQAPLIKAIIDTGVPTVVVLSSGKPITEPWLSNNTAALVQ
QFYPSEQGGNALADVLFGDYNPSGKLSVSFPHSVGDLPIYYDYLNSAREI
GDAGYIYSNGTLEFGHQYALGNPKAWYPFGYGKSYSSFEYGAVKLDKTNV
TEADTVTVSVDVKNTDATREGTEVVQVYVVDEVASVVVPNRLLKGFKKVV
IPAGQTKTVEIPLKVQDLGLWNVRMKYVVEPGAFGVLVGSSSEDIRGNAT
FYVQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5yqs Chain B Residue 811 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yqs Crystal structure and substrate recognition mechanism of Aspergillus oryzae isoprimeverose-producing enzyme.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D706 V708
Binding residue
(residue number reindexed from 1)		D681 V683
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5yqs, PDBe:5yqs, PDBj:5yqs
PDBsum5yqs
PubMed30445155
UniProtQ2U8V9

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