Structure of PDB 1djw Chain B Binding Site BS04

Receptor Information
>1djw Chain B (length=561) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKMNFKELKDFLKELNIQVDDGYARKIFRECDHSQTDSLEDEEIETFYKM
LTQRAEIDRAFEEAAGSAETLSVERLVTFLQHQQREEEAGPALALSLIER
YEPSETAKAQRQMTKDGFLMYLLSADGNAFSLAHRRVYQDMDQPLSHYLV
SSSHNTYLLEDQLTGPSSTEAYIRALCKGCRCLELDCWDGPNQEPIIYHG
YTFTSKILFCDVLRAIRDYAFKASPYPVILSLENHCSLEQQRVMARHLRA
ILGPILLDQPLDGVTTSLPSPEQLKGKILLKGKKLGGLDKLKLVPELSDM
IIYCKSVHFGGFSSPGTSGQAFYEMASFSESRALRLLQESGNGFVRHNVS
CLSRIYPAGWRTDSSNYSPVEMWNGGCQIVALNFQTPGPEMDVYLGCFQD
NGGCGYVLKPAFLRDPNTTFNSRALTQGPWWRPERLRVRIISGQQLPKVN
KNKNSIVDPKVIVEIHGVGRDTGSRQTAVITNNGFNPRWDMEFEFEVTVP
DLALVRFMVEDYDSSSKNDFIGQSTIPWNSLKQGYRHVHLLSKNGDQHPS
ATLFVKISIQD
Ligand information
Ligand IDCIP
InChIInChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
InChIKeyHSPMBPCIFXNUBY-YXVPSNDASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O
CACTVS 3.341O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[P@@](O)(=O)C[C@@H]2[C@@H]1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O
ACDLabs 10.04O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
FormulaC7 H13 O7 P
NameINOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000005851142
PDB chain1djw Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1djw Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H311 N312 E341 D343 H356 E390 R549 Y551
Binding residue
(residue number reindexed from 1)		H154 N155 E184 D186 H199 E233 R354 Y356
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H311 N312 E341 D343 H356 E390
Catalytic site (residue number reindexed from 1) H154 N155 E184 D186 H199 E233
Enzyme Commision number 3.1.4.11: phosphoinositide phospholipase C.
Gene Ontology
Molecular Function
GO:0004435 phosphatidylinositol phospholipase C activity
GO:0005509 calcium ion binding
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0007165 signal transduction
GO:0035556 intracellular signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1djw, PDBe:1djw, PDBj:1djw
PDBsum1djw
PubMed9048554
UniProtP10688|PLCD1_RAT 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1 (Gene Name=Plcd1)

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