Structure of PDB 1tjj Chain B Binding Site BS01

Receptor Information
>1tjj Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSSFSWDNCDEGKDPAVIRSLTLEPDPIVVPGNVTLSVVGSTSVPLSSP
LKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPL
RTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGK
RLGCIKIAASLKGI
Ligand information
Ligand IDPFS
InChIInChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKeyHVAUUPRFYPCOCA-AREMUKBSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
CACTVS 3.385CCCCCCCCCCCCCCCCOC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
ACDLabs 12.01[O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCCCCOC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
FormulaC26 H54 N O7 P
Name(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate;
PLATELET ACTIVATING FACTOR
ChEMBLCHEMBL1235246
DrugBankDB02261
ZINC
PDB chain1tjj Chain B Residue 2484 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tjj Evidence for lipid packaging in the crystal structure of the GM2-activator complex with platelet activating factor
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I19 V39 L57 Y116 Y139 R140 I141 I157 A158 A159
Binding residue
(residue number reindexed from 1)		I19 V39 L57 Y116 Y139 R140 I141 I157 A158 A159
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0005319 lipid transporter activity
GO:0005515 protein binding
GO:0008047 enzyme activator activity
GO:0016004 phospholipase activator activity
GO:0016787 hydrolase activity
GO:0030290 sphingolipid activator protein activity
GO:0032428 beta-N-acetylgalactosaminidase activity
Biological Process
GO:0001573 ganglioside metabolic process
GO:0006665 sphingolipid metabolic process
GO:0006689 ganglioside catabolic process
GO:0006869 lipid transport
GO:0007611 learning or memory
GO:0009313 oligosaccharide catabolic process
GO:0019915 lipid storage
GO:0046479 glycosphingolipid catabolic process
GO:0050877 nervous system process
GO:0050885 neuromuscular process controlling balance
GO:0051651 maintenance of location in cell
Cellular Component
GO:0005576 extracellular region
GO:0005764 lysosome
GO:0005829 cytosol
GO:0009898 cytoplasmic side of plasma membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0035578 azurophil granule lumen
GO:0043202 lysosomal lumen
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1tjj, PDBe:1tjj, PDBj:1tjj
PDBsum1tjj
PubMed15327957
UniProtP17900|SAP3_HUMAN Ganglioside GM2 activator (Gene Name=GM2A)

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