Structure of PDB 4gnk Chain D Binding Site BS01

Receptor Information
>4gnk Chain D (length=766) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALQLEPPTVVETLRRGSKFIKWDEETSSRNLVTLRVDPNGFFLYWTGPNM
EVDTLDISSIRDTRTGRYARLPKDPKIREVLGFGGPDARLEEKLMTVVSG
PDPVNTVFLNFMAVQDDTAKVWSEELFKLAMNILAQNASRNTFLRKAYTK
LKLQVNQDGRIPVKNILKMFSADKKRVETALESCGLKRSESIRPDEFSLE
IFERFLNKLCLRPDIDKILLEIGAKGKPYLTLEQLMDFINQKQRDPRLNE
VLYPPLRPSQARLLIEKYEPNQQFLERDQMSMEGFSRYLGGEENGILPLE
ALDLSTDMTQPLSAYFINSSHNTYLTAGQLAGTSSVEMYRQALLWGCRCV
ELDVWKGRPPEEEPFITHGFTMTTEVPLRDVLEAIAETAFKTSPYPVILS
FENHVDSAKQQAKMAEYCRSIFGDALLIEPLDKYPLAPGVPLPSPQDLMG
RILVKNKKRTDEGTASSEVNATEEMSTLVNYIEPVKFKSFEAARKRNKCF
EMSSFVETKAMEQLTKSPMEFVEYNKQQLSRIYPKGTRVDSSNYMPQLFW
NVGCQLVALNFQTLDVAMQLNAGVFEYNGRSGYLLKPEFMRRPDKSFDPF
TEVIVDGIVANALRVKVISGQFLSDRKVGIYVEVDMFGLPVDTRRKYRTR
TSQGNSFNPVWDEEPFDFPKVVLPTLASLRIAAFEEGGKFVGHRILPVSA
IRSGYHYVCLRNEANQPLCLPALLIYTEASDYIPDDHQDYAEALINPIKH
VSLMDQRARQLAALIG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4gnk Chain D Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gnk Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		N333 E362 D364 E413
Binding residue
(residue number reindexed from 1)		N322 E351 D353 E402
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H332 N333 E362 D364 H379 E413
Catalytic site (residue number reindexed from 1) H321 N322 E351 D353 H368 E402
Enzyme Commision number 3.1.4.11: phosphoinositide phospholipase C.
Gene Ontology
Molecular Function
GO:0004435 phosphatidylinositol phospholipase C activity
GO:0004629 phospholipase C activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0008081 phosphoric diester hydrolase activity
GO:0016787 hydrolase activity
GO:0045296 cadherin binding
GO:0060090 molecular adaptor activity
GO:0140677 molecular function activator activity
Biological Process
GO:0003073 regulation of systemic arterial blood pressure
GO:0006629 lipid metabolic process
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007208 phospholipase C-activating serotonin receptor signaling pathway
GO:0016042 lipid catabolic process
GO:0035556 intracellular signal transduction
GO:0046488 phosphatidylinositol metabolic process
GO:0048015 phosphatidylinositol-mediated signaling
GO:0051209 release of sequestered calcium ion into cytosol
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0099524 postsynaptic cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4gnk, PDBe:4gnk, PDBj:4gnk
PDBsum4gnk
PubMed23377541
UniProtQ01970|PLCB3_HUMAN 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Gene Name=PLCB3)

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