Structure of PDB 5u84 Chain A Binding Site BS03

Receptor Information
>5u84 Chain A (length=352) Species: 9767 (Balaenoptera acutorostrata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCRKSTYPPSGPTYRGPVPWYTINLDLPPYKRWHELMVDKAPALKVIVNY
LKNMINAFEPSGKIVQLVDQKLPGLLGSFPGPFEEEMKGIAAVTEIPLGE
IILFNIFYEFFTIATSIITEDKEGHLLHARNMDFGVFLGWNVNNNTWVVT
EELKPLTVNLDFQRNSKTVFKAAGFAGYVGMLTGFKPGLFSLTLNERFSG
FMGVIEWIIIRSVLENSTSYEEAKTILTKSKILAPAYFILGGSKSGEGCV
ITRDRVQSLDIYELDPKQGIWYVVQTNYDRWKNPFFLDNRRTPAKMCLNR
TTQENISFATMYDVLSTKPVLNKLTVYTALIDVTKGQFETYLRDCPDPCI
GW
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain5u84 Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u84 Structural basis for the activation of acid ceramidase.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		Y59 K60 H63 A121 V122
Binding residue
(residue number reindexed from 1)		Y30 K31 H34 A92 V93
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.-
3.5.1.23: ceramidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0017040 N-acylsphingosine amidohydrolase activity
GO:0017064 fatty acid amide hydrolase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006665 sphingolipid metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005764 lysosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5u84, PDBe:5u84, PDBj:5u84
PDBsum5u84
PubMed29692406
UniProtA0A383ZFX3|ASAH1_BALAS Acid ceramidase (Gene Name=ASAH1)

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