Structure of PDB 6yoz Chain BBB Binding Site BS02

Receptor Information
>6yoz Chain BBB (length=398) Species: 34413 (Humicola insolens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKPGETKEVHPQLTTFRCTKRGGCKPATNFIVLDSLSHPIHRAEGLGPGG
CGDWGNPPPKDVCPDVESCAKNCIMEGIPDYSQYGVTTNGTSLRLQHILP
DGRVPSPRVYLLDKTKRRYEMLHLTGFEFTFDVDATKLPCGMNSALYLSE
MHPTGAKSKYNPGGAYYGTGYCDAQCFVTPFINGLGNIEGKGSCCNEMDI
WEANSRASHVAPHTCNKKGLYLCEGEECAFEGVCDKNGCGWNNYRVNVTD
YYGRGEEFKVNTLKPFTVVTQFLANRRGKLEKIHRFYVQDGKVIESFYTN
KEGVPYTNMIDDEFCEATGSRKYMELGATQGMGEALTRGMVLAMSIWWDQ
GGNMEWLDHGEAGPCAKGEGAPSNIVQVEPFPEVTYTNLRWGEIGSTY
Ligand information
Ligand IDYLL
InChIInChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1
InChIKeyQFYQIWDMMSKNFF-NYLBLOMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(C1O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
CACTVS 3.341OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(C(O)C(O)C(O)C1O)CO
FormulaC7 H14 O6
Name(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL
ChEMBL
DrugBank
ZINC
PDB chain6yoz Chain BBB Residue 509 [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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PDB6yoz Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		A145 Y147 D173 Q175 E197 D199 E202 W347
Binding residue
(residue number reindexed from 1)		A145 Y147 D173 Q175 E197 D199 E202 W347
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6yoz, PDBe:6yoz, PDBj:6yoz
PDBsum6yoz
PubMed34458755
UniProtP56680|GUN1_HUMIN Endoglucanase 1 (Gene Name=CEL7B)

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