Structure of PDB 6q3r Chain A Binding Site BS01

Receptor Information
>6q3r Chain A (length=334) Species: 5053 (Aspergillus aculeatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTYRGADISSLLLLEDEGYSYKNLNGQTQALETILADAGINSIRQRVWV
NPSDGSYDLDYNLELAKRVKAAGMSLYLDLHLSDTWADPSDQTTPSGWST
TDLGTLKWQLYNYTLEVCNTFAENDIDIEIISIGNEIRAGLLWPLGETSS
YSNIGALLHSGAWGVKDSNLATTPKIMIHLDDGWSWDQQNYFYETVLATG
ELLSTDFDYFGVSYYPFYSASATLASLKTSLANLQSTYDKPVVVVETNWP
VSCPNPAYAFPSDLSSIPFSVAGQQEFLEKLAAVVEATTDGLGVYYWEPA
WIGNAGLGSSCADNLMVDYTTDEVYESIETLGEL
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6q3r Chain D Residue 1 [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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PDB6q3r Structure of Aspergillus aculeatus beta-1,4-galactanase in complex with galactobiose.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		E136 Y215 Y218 E246 W297 L307
Binding residue
(residue number reindexed from 1)		E136 Y215 Y218 E246 W297 L307
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R45 E136 E246
Catalytic site (residue number reindexed from 1) R45 E136 E246
Enzyme Commision number 3.2.1.89: arabinogalactan endo-beta-1,4-galactanase.
Gene Ontology
Molecular Function
GO:0015926 glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031218 arabinogalactan endo-1,4-beta-galactosidase activity
Biological Process
GO:0045490 pectin catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6q3r, PDBe:6q3r, PDBj:6q3r
PDBsum6q3r
PubMed31204685
UniProtP48842|GANA_ASPAC Arabinogalactan endo-beta-1,4-galactanase (Gene Name=gal1)

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