Structure of PDB 1aui Chain B Binding Site BS03

Receptor Information
>1aui Chain B (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLV
QRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDG
YISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCA
VVGGLDIHKKMVVDV
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 chain1aui Chain B Residue 502 [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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PDB1aui Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D99 D101 D103 Y105 E110
Binding residue
(residue number reindexed from 1)		D95 D97 D99 Y101 E106
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
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:1aui, PDBe:1aui, PDBj:1aui
PDBsum1aui
PubMed8524402
UniProtP63098|CANB1_HUMAN Calcineurin subunit B type 1 (Gene Name=PPP3R1)

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