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Receptor Information

>1ocu Chain B (length=132) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EPENFLEIEVHNPKTHIPNGMDSKGMFTDYEIICRTNLPSFHKRVSKVRR
RYSDFEFFRKCLIKEISMLNHPKVMVPHLPGKILLSNRFSNEVIEERRQG
LNTWMQSVAGHPLLQSGSKVLVRFIEAEKFVG

Ligand ID

PIB

InChI

InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14+,15+,16+,17-/m0/s1

InChIKey

NKJZZWLREOAJGO-HODIZBBFSA-N

SMILES

Software	SMILES
CACTVS 3.341	CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC
OpenEye OEToolkits 1.5.0	CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC
OpenEye OEToolkits 1.5.0	CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC
CACTVS 3.341	CCCC(=O)OC[C@@H](CO[P@@](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC
ACDLabs 10.04	O=C(OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)O)CCC

Formula

C17 H32 O16 P2

Name

2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE;
D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO

PDB chain

1ocu Chain B Residue 1164 [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	1ocu Crystal structure of the yeast Phox homology (PX) domain protein Grd19p complexed to phosphatidylinositol-3-phosphate.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	R81 Y82 S83 E86 K112 I113 R118 R127
Binding residue (residue number reindexed from 1)	R51 Y52 S53 E56 K82 I83 R88 R97
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0008289	lipid binding
GO:0032266	phosphatidylinositol-3-phosphate binding
GO:0035091	phosphatidylinositol binding

	Biological Process
GO:0008104	protein localization
GO:0015031	protein transport
GO:0032456	endocytic recycling
GO:0034499	late endosome to Golgi transport

	Cellular Component
GO:0000139	Golgi membrane
GO:0000329	fungal-type vacuole membrane
GO:0005737	cytoplasm
GO:0005768	endosome
GO:0005794	Golgi apparatus
GO:0005829	cytosol
GO:0016020	membrane
GO:0030904	retromer complex
GO:0031901	early endosome membrane
GO:0032994	protein-lipid complex

PDB	RCSB:1ocu, PDBe:1ocu, PDBj:1ocu
PDBsum	1ocu
PubMed	14514667
UniProt	Q08826\|SNX3_YEAST Sorting nexin-3 (Gene Name=SNX3)

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Structure of PDB 1ocu Chain B Binding Site BS01