Structure of PDB 1djh Chain B Binding Site BS03

Receptor Information
>1djh Chain B (length=559) 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
KNSIVDPKVIVEIHGVGRDTGSRQTAVITNNGFNPRWDMEFEFEVTVPDL
ALVRFMVEDYDSSSKNDFIGQSTIPWNSLKQGYRHVHLLSKNGDQHPSAT
LFVKISIQD
Ligand information
Ligand IDBA
InChIInChI=1S/Ba/q+2
InChIKeyXDFCIPNJCBUZJN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ba++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ba+2]
FormulaBa
NameBARIUM ION
ChEMBL
DrugBank
ZINC
PDB chain1djh Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1djh A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D653 D706 Y707
Binding residue
(residue number reindexed from 1)		D456 D509 Y510
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1djh, PDBe:1djh, PDBj:1djh
PDBsum1djh
PubMed9062102
UniProtP10688|PLCD1_RAT 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1 (Gene Name=Plcd1)

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