Structure of PDB 2ag2 Chain C Binding Site BS01

Receptor Information
>2ag2 Chain C (length=162) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSFSWDNCDEGKDPAVIRSLTLEPDPIVVPGNVTLSVVGSTSVPLSSPLK
VDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRT
YGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRL
GCIKIAASLKGI
Ligand information
Ligand IDCH5
InChIInChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeySUHOQUVVVLNYQR-MRVPVSSYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341C[N+](C)(C)CCO[P@@](O)(=O)OC[C@H](O)CO
CACTVS 3.341C[N+](C)(C)CCO[P](O)(=O)OC[CH](O)CO
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOP(=O)(O)OCC(CO)O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O
ACDLabs 10.04O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
FormulaC8 H21 N O6 P
Name2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM;
GLYCERO-3-PHOSPHOCHOLINE
ChEMBL
DrugBank
ZINCZINC000001532714
PDB chain2ag2 Chain C Residue 2342 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ag2 Crystal Structure Analysis of Phosphatidylcholine-GM2-Activator Product Complexes: Evidence for Hydrolase Activity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y73 L89
Binding residue
(residue number reindexed from 1)		Y71 L87
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ag2, PDBe:2ag2, PDBj:2ag2
PDBsum2ag2
PubMed16216074
UniProtP17900|SAP3_HUMAN Ganglioside GM2 activator (Gene Name=GM2A)

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