Structure of PDB 1i9z Chain A Binding Site BS02

Receptor Information
>1i9z Chain A (length=336) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDPIHEYVNHELRKRENEFSEHKNVKIFVASYNLNGCSATTKLENWLFPE
NTPLADIYVVGFQEIVQLTSADPAKRREWESCVKRLLNGKCTSGPGYVQL
RSGQLVGTALMIFCKESCLPSIKNVEGTVKKTGLGNKGAVAIRFDYEDTG
LCFITSHLAAGYTNYDERDHDYRTIASGLRFRRGRSIFNHDYVVWFGDFN
YRISLTYEEVVPCIAQGKLSYLFEYDQLNKQMLTGKVFPFFSELPITFPP
TYKFDIGTDIYDTSDKHRVPAWTDRILYRGELVPHSYQSVPLYYSDHRPI
YATYEANIVKVDREKKKILFEELYNQRKQEVRDASQ
Ligand information
Ligand ID2IP
InChIInChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6+/m1/s1
InChIKeyPELZSPZCXGTUMR-GTTIYYRPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O
CACTVS 3.341O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O
ACDLabs 10.04O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)(O)O
FormulaC6 H14 O12 P2
NameD-MYO-INOSITOL-1,4-BISPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain1i9z Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1i9z Specificity determinants in phosphoinositide dephosphorylation: crystal structure of an archetypal inositol polyphosphate 5-phosphatase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G703 Y704 R744 Y794 K795 R810
Binding residue
(residue number reindexed from 1)		G161 Y162 R202 Y252 K253 R268
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.36: phosphoinositide 5-phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity
Biological Process
GO:0046856 phosphatidylinositol dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1i9z, PDBe:1i9z, PDBj:1i9z
PDBsum1i9z
PubMed11348594
UniProtO43001|SYJ1_SCHPO Inositol-1,4,5-trisphosphate 5-phosphatase 1 (Gene Name=syj1)

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