Structure of PDB 1imb Chain A Binding Site BS01

Receptor Information
>1imb Chain A (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WQECMDYAVTLARQAGEVVCEAIKNEMNVMLKSSPVDLVTATDQKVEKML
ISSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHRFPF
VAVSIGFAVNKKIEFGVVYSCVEGKMYTARKGKGAFCNGQKLQVSQQEDI
TKSLLVTELGSSRTPETVRMVLSNMEKLFCIPVHGIRSVGTAAVNMCLVA
TGGADAYYEMGIHCWDVAGAGIIVTEAGGVLMDVTGGPFDLMSRRVIAAN
NRILAERIAKEIQVIPLQRDDE
Ligand information
Ligand IDLIP
InChIInChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1
InChIKeyINAPMGSXUVUWAF-PTQMNWPWSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
CACTVS 3.370O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[C@H]1O
ACDLabs 12.01O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
FormulaC6 H11 O9 P
NameL-MYO-INOSITOL-1-PHOSPHATE
ChEMBL
DrugBankDB03542
ZINC
PDB chain1imb Chain A Residue 279 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1imb Structural analysis of inositol monophosphatase complexes with substrates.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D93 G94 S165 T195 A196 E213 D220
Binding residue
(residue number reindexed from 1)		D89 G90 S161 T191 A192 E209 D216
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D47 E70 D90 I92 D93 T95 D220
Catalytic site (residue number reindexed from 1) D43 E66 D86 I88 D89 T91 D216
Enzyme Commision number 3.1.3.25: inositol-phosphate phosphatase.
3.1.3.94: D-galactose 1-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0031403 lithium ion binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0052832 inositol monophosphate 3-phosphatase activity
GO:0052833 inositol monophosphate 4-phosphatase activity
GO:0052834 inositol monophosphate phosphatase activity
Biological Process
GO:0006020 inositol metabolic process
GO:0006021 inositol biosynthetic process
GO:0006661 phosphatidylinositol biosynthetic process
GO:0006796 phosphate-containing compound metabolic process
GO:0007165 signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1imb, PDBe:1imb, PDBj:1imb
PDBsum1imb
PubMed8068620
UniProtP29218|IMPA1_HUMAN Inositol monophosphatase 1 (Gene Name=IMPA1)

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