Structure of PDB 2ag4 Chain A Binding Site BS01

Receptor Information

>2ag4 Chain A (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 ID

LP3

InChI

InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1

InChIKey

IHNKQIMGVNPMTC-RUZDIDTESA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O

Formula

C26 H55 N O7 P

Name

(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE

PDB chain

2ag4 Chain A Residue 2341 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2ag4 Crystal Structure Analysis of Phosphatidylcholine-GM2-Activator Product Complexes: Evidence for Hydrolase Activity.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	A17 G41 S42 F82 P97 Y116 L145
Binding residue (residue number reindexed from 1)	A17 G41 S42 F82 P97 Y116 L145
Annotation score	1

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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Cellular Component

External links

PDB	RCSB:2ag4, PDBe:2ag4, PDBj:2ag4
PDBsum	2ag4
PubMed	16216074
UniProt	P17900\|SAP3_HUMAN Ganglioside GM2 activator (Gene Name=GM2A)

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