Structure of PDB 5u84 Chain A Binding Site BS01

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 407 [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)		F351 K378
Binding residue
(residue number reindexed from 1)		F308 K335
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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