Structure of PDB 5nxb Chain A Binding Site BS01

Receptor Information

>5nxb Chain A (length=644) Species: 10090 (Mus musculus)

GAYVLDDSDGLGREFDGIGAVSGGGATSRLLVNYPEPYRSEILDYLFKPN
FGASLHILKVEIGGDGQTTDGTEPSHMHYELDENYFRGYEWWLMKEAKKR
NPDIILMGLPWSFPGWLGKGFSWPYVNLQLTAYYVVRWILGAKHYHDLDI
DYIGIWNERPFDANYIKELRKMLDYQGLQRVRIIASDNLWEPISSSLLLD
QELWKVVDVIGAHYPGTYTVWNAKMSGKKLWSSEDFSTINSNVGAGCWSR
ILNQNYINGNMTSTIAWNLVASYYEELPYGRSGLMTAQEPWSGHYVVASP
IWVSAHTTQFTQPGWYYLKTVGHLEKGGSYVALTDGLGNLTIIIETMSHQ
HSMCIRPYLPYYNVSHQLATFTLKGSLREIQELQVWYTKLGTPQQRLHFK
QLDTLWLLDGSGSFTLELEEDEIFTLTTLTTGRKGSYPPPPSSKPFPTNY
KDDFNVEYPLFSEAPNFADQTGVFEYYMNNEDREHRFTLRQVLNQRPITW
AADASSTISVIGDHHWTNMTVQCDVYIETPRSGGVFIAGRVNKGGILIRS
ATGVFFWIFANGSYRVTADLGGWITYASGHADVTAKRWYTLTLGIKGYFA
FGMLNGTILWKNVRVKYPGHGWAAIGTHTFEFAQFDNFRVEAAR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5nxb Chain A Residue 709

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nxb The mechanism of glycosphingolipid degradation revealed by a GALC-SapA complex structure.
• Resolution: 3.6 Å
• Binding residue (original residue number in PDB): D477 N479 F511 D660
• Binding residue (residue number reindexed from 1): D453 N455 F487 D636
• Annotation score: 1

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

External links

• PDB: RCSB:5nxb, PDBe:5nxb, PDBj:5nxb
• PDBsum: 5nxb
• PubMed: 29323104
• UniProt: P54818|GALC_MOUSE Galactocerebrosidase (Gene Name=Galc)