Structure of PDB 2ag2 Chain B Binding Site BS02

Receptor Information

>2ag2 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 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

2ag2 Chain B Residue 2343 [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	2ag2 Crystal Structure Analysis of Phosphatidylcholine-GM2-Activator Product Complexes: Evidence for Hydrolase Activity.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	A17 V18 L47 V53 L100 F111 Y116 S143 L145 G153 I155
Binding residue (residue number reindexed from 1)	A17 V18 L47 V53 L100 F111 Y116 S143 L145 G153 I155
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:2ag2, PDBe:2ag2, PDBj:2ag2
PDBsum	2ag2
PubMed	16216074
UniProt	P17900\|SAP3_HUMAN Ganglioside GM2 activator (Gene Name=GM2A)

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