Structure of PDB 7eap Chain A Binding Site BS02

Receptor Information
>7eap Chain A (length=755) Species: 510516 (Aspergillus oryzae RIB40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKPRYKDPSVPVEERVTDLLGRMTLEEKMSQLIQGDITNWMNETTGEFNL
TGLEWSTKMRGGMFYVGYPVPWDYIADNVKKAQDYILQNTTLGIPAIVQT
ESLHGFLIGNATIYNSPIGFACSFNPELIEKMARLIGQEASALGVNHVMG
PVVDLARELRFGRVEETYGEDPFLAGEIGYHYTKGIQSHNISANVKHFVG
FSQPEQGLNTAPVHGGERYLRTTWLPSFKRAIMDAGAWSIMSAYHSYDGI
PAVADYHTLTEILREEWGYKYWVTSDAGASDRVCTAFKLCRADPIDKEAV
TLAILPAGNDVEMGGGSYNFETIIDLVNAGKLDIEIVNTAVSRVLRAKFE
MGLFENPYNAAPASEWNKLIHTQEAVDLARELDRESIVLLENHDNALPLK
KSGSIAVIGPMAHGFMNYGDYVVYESQYRGVTPLDGIKAAVGDKATINYA
QGCERWSNDQSGFAEAVEAAKKSDVAVVVVGTWSRDQKELWAGLNATTGA
HVDVNSLSLVGAQAPLIKAIIDTGVPTVVVLSSGKPITEPWLSNNTAALV
QQFYPSEQGGNALADVLFGDYNPSGKLSVSFPHSVGDLPIYYDYLNSARE
IGDAGYIYSNGTLEFGHQYALGNPKAWYPFGYGKSYSSFEYGAVKLDKTN
VTEADTVTVSVDVKNTDATREGTEVVQVYVVDEVASVVVPNRLLKGFKKV
VIPAGQTKTVEIPLKVQDLGLWNVRMKYVVEPGAFGVLVGSSSEDIRGNA
TFYVQ
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7eap Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7eap Structural basis for the catalytic mechanism of the glycoside hydrolase family 3 isoprimeverose-producing oligoxyloglucan hydrolase from Aspergillus oryzae.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		E125 R187 K220 H221 Y268 D300
Binding residue
(residue number reindexed from 1)		E101 R163 K196 H197 Y244 D276
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7eap, PDBe:7eap, PDBj:7eap
PDBsum7eap
PubMed35717558
UniProtQ2U8V9

[Back to BioLiP]