Structure of PDB 4qj4 Chain B Binding Site BS02

Receptor Information
>4qj4 Chain B (length=749) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLEPPTVVETLRRGSKFIKWDEETSSRNLVTLRVDPNGFFLYWTGPNMEV
DTLDISSIRDTRTGRYARLPKDPKIREVLGDARLEEKLMTVVSGPDPVNT
VFLNFMAVQDDTAKVWSEELFKLAMNILAQNASRNTFLRKAYTKLKLQVN
QDGRIPVKNILKMFSADKKRVETALESCGLKFNRSESIRPDEFSLEIFER
FLNKLCLRPDIDKILLEIGAKGKPYLTLEQLMDFINQKQRDPRLNEVLYP
PLRPSQARLLIEKYEPNQQFLERDQMSMEGFSRYLGGEENGILPLEALDL
STDMTQPLSAYFINSSHNTYLTAGQLAGTSSVEMYRQALLWGCRCVELDV
WKGRPPEEEPFITHGFTMTTEVPLRDVLEAIAETAFKTSPYPVILSFENH
VDSAKQQAKMAEYCRSIFGDALLIEPLDKYPLAPGVPLPSPQDLMGRILV
KNKKREMSTLVNYIEPVKFKSFEAARKRNKCFEMSSFVETKAMEQLTKSP
MEFVEYNKQQLSRIYPKGTRVDSSNYMPQLFWNVGCQLVALNFQTLDVAM
QLNAGVFEYNGRSGYLLKPEFMRRPDKSFDPFTEVIVDGIVANALRVKVI
SGQFLSDRKVGIYVEVDMFGLPVDTRRKYRTRTSQGNSFNPVWDEEPFDF
PKVVLPTLASLRIAAFEEGGKFVGHRILPVSAIRSGYHYVCLRNEANQPL
CLPALLIYTEASDYIPDDHQDYAEALINPIKHVSLMDQRARQLAALIGE
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 chain4qj4 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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PDB4qj4 Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H332 N333 E362 E413 S619 R646 Y648
Binding residue
(residue number reindexed from 1)		H317 N318 E347 E398 S486 R513 Y515
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H332 N333 E362 D364 H379 E413
Catalytic site (residue number reindexed from 1) H317 N318 E347 D349 H364 E398
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:4qj4, PDBe:4qj4, PDBj:4qj4
PDBsum4qj4
PubMed25435326
UniProtQ01970|PLCB3_HUMAN 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Gene Name=PLCB3)

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