Structure of PDB 5c71 Chain A Binding Site BS02

Receptor Information
>5c71 Chain A (length=583) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKPQQTTTRDLISLDGLWKFALASDDNNTQPWTSQLKTSLECPVPASYN
DIFADSKIHDHVGWVYYQRDVIVPKGWSEERYLVRCEAATHHGRIYVNGN
LVADHVGGYTPFEADITDLVAAGEQFRLTIAVDNELTYQTIPPGKVEILE
ATGKKVQTYQHDFYNYAGLARSVWLYSVPQQHIQDITVRTDVQGTTGLID
YNVVASTTQGTIQVAVIDEDGTTVATSSGSNGTIHIPSVHLWQPGAAYLY
QLHASIIDSSKKTIDTYKLATGIRTVKVQGTQFLINDKPFYFTGFGKHED
TNIRGKGHDDAYMVHDFQLLHWMGANSFRTSHYPYAEEVMEYADRQGIVV
IDETPAVGLAFSPATFSPDRINNKTREAHAQAIRELIHRDKNHPSVVMWS
IANDPASNEDGAREYFAPLPKLARQLDPTRPVTFANVGLATYKADRIADL
FDVLCLNRYFGWYTQTAELDEAEAALEEELRGWTEKYDKPIVMTDYGADT
VAGLHSVMVTPWSEEFQVEMLDMYHRVFDRFEAMAGEQVWNFADFQTAVG
VSRVDGNKKGVFTRDRKPKAAAHLLRKRWTNLH
Ligand information
Ligand IDGCU
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-WAXACMCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-D-glucopyranuronic acid;
alpha-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
DrugBank
ZINCZINC000004213449
PDB chain5c71 Chain A Residue 702 [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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PDB5c71 Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		D162 Y469 Y473 W550 R563 N567 K569
Binding residue
(residue number reindexed from 1)		D162 Y459 Y463 W540 R553 N557 K559
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D162 H298 H332 V357 L359 D414 Y469 D505 K569
Catalytic site (residue number reindexed from 1) D162 H298 H332 V357 L359 D404 Y459 D495 K559
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004566 beta-glucuronidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5c71, PDBe:5c71, PDBj:5c71
PDBsum5c71
PubMed29146597
UniProtA7XS03

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