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Receptor Information

>1ocu Chain A (length=134) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IYAEPENFLEIEVHNPKTHIPNGMDSKGMFTDYEIICRTNLPSFHKRVSK
VRRRYSDFEFFRKCLIKEISMLNHPKVMVPHLPGKILLSNRFSNEVIEER
RQGLNTWMQSVAGHPLLQSGSKVLVRFIEAEKFV

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 A Residue 1163 [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 S83 E86 K112 I113 R118 R127
Binding residue (residue number reindexed from 1)	R54 S56 E59 K85 I86 R91 R100
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 A Binding Site BS01