Structure of PDB 5yqs Chain A Binding Site BS02

Receptor Information
>5yqs Chain A (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 IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain5yqs Chain F Residue 2 [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)		Q58 Y89 G338 G339
Binding residue
(residue number reindexed from 1)		Q33 Y64 G313 G314
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
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Cellular Component
External links
PDB RCSB:5yqs, PDBe:5yqs, PDBj:5yqs
PDBsum5yqs
PubMed30445155
UniProtQ2U8V9

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