Structure of PDB 4qj5 Chain B Binding Site BS02

Receptor Information
>4qj5 Chain B (length=747) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLEPPTVVETLRRGSKFIKWDEETSSRNLVTLRVDPNGFFLYWTGPNMEV
DTLDISSIRDTRTGRYARLPKDPKIREVLGARLEEKLMTVVSGPDPVNTV
FLNFMAVQDDTAKVWSEELFKLAMNILAQNASRNTFLRKAYTKLKLQVNQ
DGRIPVKNILKMFSADKKRVETALESCGLKFNRSESIRPDEFSLEIFERF
LNKLCLRPDIDKILLEIGAKGKPYLTLEQLMDFINQKQRDPRLNEVLYPP
LRPSQARLLIEKYEPNQQFLERDQMSMEGFSRYLGGEENGILPLEALDLS
TDMTQPLSAYFINSSHNTYLTAGQLAGTSSVEMYRQALLWGCRCVELDVW
KGRPPEEEPFITHGFTMTTEVPLRDVLEAIAETAFKTSPYPVILSFENHV
DSAKQQAKMAEYCRSIFGDALLIEPLDKYPLAPGVPLPSPQDLMGRILVK
NKKREMSTLVNYIEPVKFKSFEAARKRNKCFEMSSFVETKAMEQLTKSPM
EFVEYNKQQLSRIYPKGTRVDSSNYMPQLFWNVGCQLVALNFQTLDVAMQ
LNAGVFEYNGRSGYLLKPEFMRRPDKSFDPFTEVIVDGIVANALRVKVIS
GQFLSDRKVGIYVEVDMFGLPVDTRRKYRTRTSQGNSFNPVWDEEPFDFP
KVVLPTLASLRIAAFEEGGKFVGHRILPVSAIRSGYHYVCLRNEANQPLC
LPALLIYTEASDYIPDDHQDYAEALINPIKHVSLMDQRARQLAALIG
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 chain4qj5 Chain B Residue 902 [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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PDB4qj5 Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		N333 E362 H379 E413 S619 Y648
Binding residue
(residue number reindexed from 1)		N317 E346 H363 E397 S485 Y514
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H332 N333 E362 D364 H379 E413
Catalytic site (residue number reindexed from 1) H316 N317 E346 D348 H363 E397
Enzyme Commision number 3.1.4.11: phosphoinositide phospholipase C.
Gene Ontology
Molecular Function
GO:0004435 phosphatidylinositol phospholipase C activity
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:4qj5, PDBe:4qj5, PDBj:4qj5
PDBsum4qj5
PubMed25435326
UniProtQ01970|PLCB3_HUMAN 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Gene Name=PLCB3)

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