Structure of PDB 8j51 Chain B Binding Site BS01

Receptor Information
>8j51 Chain B (length=510) Species: 1220578 (Flavihumibacter petaseus NBRC 106054) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQSLHIPLLKGECWWGAAVNRAHDMPLQPGAFIQLNGDVSGNQAVPLLLS
SAGRYVWSDQPFSVKREGDILSISFTGTGALYTASGGSLKDAWGEAAARF
FPASGRLPDTSLFTAPQYNTWIELIYNQNQEDILRYARDIVANGFPPGVL
MIDDNWFPYYGNFSFRKDRFPDAAGMISTLHGMGFKVMLWVCPFLSPDTE
AFREALAKRIVLFDSKGSDTLQWQHAVDPAIVHWWNGYSAVLDGSNPDAV
TWMREKLDGLQQQYGIDGFKFDAGDAEFYLGNILSREKIGANEQCERWGR
IGLLYPMNEYRAMWKNGGQPLVERLRDKYHTWEDVRKLIPHASLAGLLGY
SFVCPDMIGGGDFSSFKLDQELIVRSAQCHALMPMMQFSVAPWRVLDSSQ
LQAVKNAVALRRQMLPEIMKYTREAAVTGMPVLRSMEFVFPHQGFERVED
QFMLGDNYLVAPVLEKGSVRKIKLPKGRWQEIQSGKVYRGGETIELKVTL
NTIPCFKRTT
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain8j51 Chain B Residue 601 [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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PDB8j51 Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		W153 D185 D186 W222 W267 K302 D304 R343 R356 D359
Binding residue
(residue number reindexed from 1)		W121 D153 D154 W190 W235 K270 D272 R311 R324 D327
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016491 oxidoreductase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8j51, PDBe:8j51, PDBj:8j51
PDBsum8j51
PubMed37438884
UniProtA0A0E9MUN5

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