Structure of PDB 3ll8 Chain D Binding Site BS01

Receptor Information
>3ll8 Chain D (length=155) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTD
GNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQV
LKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKK
MVVDV
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 chain3ll8 Chain D Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ll8 Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D30 D32 S34 S36 E41
Binding residue
(residue number reindexed from 1)		D16 D18 S20 S22 E27
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004721 phosphoprotein phosphatase activity
GO:0004723 calcium-dependent protein serine/threonine phosphatase activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0008597 calcium-dependent protein serine/threonine phosphatase regulator activity
GO:0019902 phosphatase binding
GO:0019904 protein domain specific binding
GO:0046872 metal ion binding
Biological Process
GO:0001569 branching involved in blood vessel morphogenesis
GO:0001837 epithelial to mesenchymal transition
GO:0006606 protein import into nucleus
GO:0007507 heart development
GO:0014044 Schwann cell development
GO:0022011 myelination in peripheral nervous system
GO:0033173 calcineurin-NFAT signaling cascade
GO:0034504 protein localization to nucleus
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0060487 lung epithelial cell differentiation
GO:0070886 positive regulation of calcineurin-NFAT signaling cascade
GO:0097720 calcineurin-mediated signaling
GO:0098693 regulation of synaptic vesicle cycle
GO:0099149 regulation of postsynaptic neurotransmitter receptor internalization
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:1905665 positive regulation of calcium ion import across plasma membrane
GO:1905949 negative regulation of calcium ion import across plasma membrane
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005955 calcineurin complex
GO:0008287 protein serine/threonine phosphatase complex
GO:0042383 sarcolemma
GO:0045202 synapse
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098686 hippocampal mossy fiber to CA3 synapse
GO:0098688 parallel fiber to Purkinje cell synapse
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ll8, PDBe:3ll8, PDBj:3ll8
PDBsum3ll8
PubMed22343722
UniProtP63098|CANB1_HUMAN Calcineurin subunit B type 1 (Gene Name=PPP3R1)

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