Structure of PDB 5fic Chain D Binding Site BS03

Receptor Information
>5fic Chain D (length=527) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLTCPACKVLFTALNHGLKKEPNVARVGSVAIKICKMLNIAPLDVCQSAV
HLFEDDVVEVWTRSVLSPSEACGLLLGSSCGHWDIFSTWNISLPSVPKPP
PKPPSPPAPGAPVSRVLFLTDLHWDHEYLEGTDPYCADPLCCRRGSGWPP
NSQKGAGFWGEYSKCDLPLRTLESLLKGLGPAGPFEMVYWTGDIPAHDVW
QQSRQDQLRALTTITDLVRKFLGPVPVYPAVGNHESTPVNGFPPPFIKGN
QSSQWLYEAMAKAWEPWLPADALHTLRIGGFYALTPRPGLRLISLNMNFC
SRENFWLLINSTDPAGQLQWLVEELQAAENRGDKVHIIGHIPPGHCLKSW
SWNYYKIIARYENTLAGQFFGHTHVDEFEIFYDEETLSRPLAVAFLAPSA
TTFINLNPGYRVYQIDGNYPGSSHVVLDHETYILNLTQANAAGGTPSWKR
LYRARETYGLPDAMPASWHNLVYRMRDDEQLFQTFWFLYHKGHPPSEPCG
TPCRLATLCAQLSARADSPALCRHLMP
Ligand information
Ligand ID6E0
InChIInChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKeyFTMKAMVLFVRZQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCCP(=O)(O)O
ACDLabs 12.01C(CCCCCCCCCCCCCC)CCCP(O)(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCCCC[P](O)(O)=O
FormulaC18 H39 O3 P
Nameoctadecylphosphonic acid
ChEMBLCHEMBL190741
DrugBank
ZINCZINC000006921200
PDB chain5fic Chain D Residue 711 [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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PDB5fic Crystal structure of mammalian acid sphingomyelinase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L97 L101 N106
Binding residue
(residue number reindexed from 1)		L14 L18 N23
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.12: sphingomyelin phosphodiesterase.
3.1.4.3: phospholipase C.
Gene Ontology
Molecular Function
GO:0004767 sphingomyelin phosphodiesterase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0034480 phosphatidylcholine phospholipase C activity
GO:0046872 metal ion binding
GO:0061750 acid sphingomyelin phosphodiesterase activity
Biological Process
GO:0001778 plasma membrane repair
GO:0006629 lipid metabolic process
GO:0006672 ceramide metabolic process
GO:0006685 sphingomyelin catabolic process
GO:0008203 cholesterol metabolic process
GO:0009410 response to xenobiotic stimulus
GO:0009615 response to virus
GO:0010212 response to ionizing radiation
GO:0023021 termination of signal transduction
GO:0034340 response to type I interferon
GO:0034612 response to tumor necrosis factor
GO:0034644 cellular response to UV
GO:0042060 wound healing
GO:0042220 response to cocaine
GO:0043065 positive regulation of apoptotic process
GO:0043407 negative regulation of MAP kinase activity
GO:0045807 positive regulation of endocytosis
GO:0046513 ceramide biosynthetic process
GO:0046598 positive regulation of viral entry into host cell
GO:0046718 symbiont entry into host cell
GO:0070555 response to interleukin-1
GO:0071277 cellular response to calcium ion
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005764 lysosome
GO:0005768 endosome
GO:0005811 lipid droplet
GO:0005886 plasma membrane
GO:0036019 endolysosome
GO:0042599 lamellar body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5fic, PDBe:5fic, PDBj:5fic
PDBsum5fic
PubMed27435900
UniProtQ04519|ASM_MOUSE Sphingomyelin phosphodiesterase (Gene Name=Smpd1)

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