Structure of PDB 4ufi Chain A Binding Site BS02

Receptor Information
>4ufi Chain A (length=641) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAYVLDDSDGLGREFDGIGAVSGGGATSRLLVNYPEPYRSEILDYLFKPN
FGASLHILKVEIGGDGQTTDGTEPSHMHYELDENYFRGYEWWLMKEAKKR
NPDIILMGLPWSFPGWLGKGFSWPYVNLQLTAYYVVRWILGAKHYHDLDI
DYIGIWNERPFDANYIKELRKMLDYQGLQRVRIIASDNLWEPISSSLLLD
QELWKVVDVIGAHYPGTYTVWNAKMSGKKLWSSEDFSTINSNVGAGCWSR
ILNQNYINGNMTSTIAWNLVASYYEELPYGRSGLMTAQEPWSGHYVVASP
IWVSAHTTQFTQPGWYYLKTVGHLEKGGSYVALTDGLGNLTIIIETMSHQ
HSMCIRPYLPYYNVSHQLATFTLKGSLREIQELQVWYTKLGQRLHFKQLD
TLWLLDGSGSFTLELEEDEIFTLTTLTTGRKGSYPPPPSSKPFPTNYKDD
FNVEYPLFSEAPNFADQTGVFEYYMNNEDREHRFTLRQVLNQRPITWAAD
ASSTISVIGDHHWTNMTVQCDVYIETPRSGGVFIAGRVNKGGILIRSATG
VFFWIFANGSYRVTADLGGWITYASGHADVTAKRWYTLTLGIKGYFAFGM
LNGTILWKNVRVKYPGHGWAAIGTHTFEFAQFDNFRVEAAR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4ufi Chain A Residue 3669 [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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PDB4ufi Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D477 N479 F511 D660
Binding residue
(residue number reindexed from 1)		D450 N452 F484 D633
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.46: galactosylceramidase.
Gene Ontology
Molecular Function
GO:0004336 galactosylceramidase activity
Biological Process
GO:0006683 galactosylceramide catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ufi, PDBe:4ufi, PDBj:4ufi
PDBsum4ufi
PubMed26029356
UniProtP54818|GALC_MOUSE Galactocerebrosidase (Gene Name=Galc)

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