Structure of PDB 1djx Chain A Binding Site BS03

Receptor Information
>1djx Chain A (length=513) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIETFYKMLTQRAEIDRAFEEAAGSAETLSVERLVTFLQHQQREEEAGPA
LALSLIERYEPSETAKAQRQMTKDGFLMYLLSADGNAFSLAHRRVYQDMD
QPLSHYLVSSSHNTYLLEDQLTGPSSTEAYIRALCKGCRCLELDCWDGPN
QEPIIYHGYTFTSKILFCDVLRAIRDYAFKASPYPVILSLENHCSLEQQR
VMARHLRAILGPILLDQPLDGVTTSLPSPEQLKGKILLKGKKLKLVPELS
DMIIYCKSVHFGGFSSPGTSGQAFYEMASFSESRALRLLQESGNGFVRHN
VSCLSRIYPAGWRTDSSNYSPVEMWNGGCQIVALNFQTPGPEMDVYLGCF
QDNGGCGYVLKPAFLRDPNTTFNSRALTQGPWWRPERLRVRIISGQQLPK
VNKNKNSIVDPKVIVEIHGVGRDTGSRQTAVITNNGFNPRWDMEFEFEVT
VPDLALVRFMVEDYDSSSKNDFIGQSTIPWNSLKQGYRHVHLLSKNGDQH
PSATLFVKISIQD
Ligand information
Ligand IDI3P
InChIInChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
InChIKeyMMWCIQZXVOZEGG-XJTPDSDZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O
FormulaC6 H15 O15 P3
NameD-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
ChEMBLCHEMBL279107
DrugBankDB03401
ZINCZINC000004095598
PDB chain1djx Chain A Residue 1 [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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PDB1djx Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H311 N312 E341 H356 E390 K438 S522 R549 Y551
Binding residue
(residue number reindexed from 1)		H112 N113 E142 H157 E191 K239 S279 R306 Y308
Annotation score5
Binding affinityMOAD: Kd=1.7uM
Enzymatic activity
Catalytic site (original residue number in PDB) H311 N312 E341 D343 H356 E390
Catalytic site (residue number reindexed from 1) H112 N113 E142 D144 H157 E191
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:1djx, PDBe:1djx, PDBj:1djx
PDBsum1djx
PubMed9048554
UniProtP10688|PLCD1_RAT 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1 (Gene Name=Plcd1)

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