Structure of PDB 4il1 Chain A Binding Site BS02

Receptor Information
>4il1 Chain A (length=529) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLV
QRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDG
YISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCA
VVGGDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESV
ALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPAN
TRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYF
TFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLD
DIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFY
SYPAVCDFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPN
YLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEK
VTEMLVNVLNICFEEAKGLDRINERMPPR
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 chain4il1 Chain A 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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PDB4il1 Structural basis of calcineurin activation by calmodulin.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D220 D222 N224 E226 E231
Binding residue
(residue number reindexed from 1)		D58 D60 N62 E64 E69
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D423 H425 D451 D454 R455 N483 H484 H532 R587 H614
Catalytic site (residue number reindexed from 1) D230 H232 D258 D261 R262 N290 H291 H339 R394 H421
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0004721 phosphoprotein phosphatase activity
GO:0004722 protein serine/threonine phosphatase activity
GO:0004723 calcium-dependent protein serine/threonine phosphatase activity
GO:0005246 calcium channel regulator activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0008179 adenylate cyclase binding
GO:0008597 calcium-dependent protein serine/threonine phosphatase regulator activity
GO:0010856 adenylate cyclase activator activity
GO:0016018 cyclosporin A binding
GO:0016787 hydrolase activity
GO:0017018 myosin phosphatase activity
GO:0019855 calcium channel inhibitor activity
GO:0019899 enzyme binding
GO:0019901 protein kinase binding
GO:0019902 phosphatase binding
GO:0019904 protein domain specific binding
GO:0030235 nitric-oxide synthase regulator activity
GO:0031432 titin binding
GO:0031800 type 3 metabotropic glutamate receptor binding
GO:0033192 calmodulin-dependent protein phosphatase activity
GO:0043539 protein serine/threonine kinase activator activity
GO:0043548 phosphatidylinositol 3-kinase binding
GO:0044325 transmembrane transporter binding
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
GO:0046983 protein dimerization activity
GO:0048306 calcium-dependent protein binding
GO:0050998 nitric-oxide synthase binding
GO:0051117 ATPase binding
GO:0072542 protein phosphatase activator activity
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0000086 G2/M transition of mitotic cell cycle
GO:0001569 branching involved in blood vessel morphogenesis
GO:0001837 epithelial to mesenchymal transition
GO:0001975 response to amphetamine
GO:0002027 regulation of heart rate
GO:0005513 detection of calcium ion
GO:0006470 protein dephosphorylation
GO:0006606 protein import into nucleus
GO:0006816 calcium ion transport
GO:0007507 heart development
GO:0008544 epidermis development
GO:0010613 positive regulation of cardiac muscle hypertrophy
GO:0010628 positive regulation of gene expression
GO:0010629 negative regulation of gene expression
GO:0010880 regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
GO:0014044 Schwann cell development
GO:0014883 transition between fast and slow fiber
GO:0014898 cardiac muscle hypertrophy in response to stress
GO:0016240 autophagosome membrane docking
GO:0019722 calcium-mediated signaling
GO:0022011 myelination in peripheral nervous system
GO:0023057 negative regulation of signaling
GO:0030216 keratinocyte differentiation
GO:0030335 positive regulation of cell migration
GO:0032465 regulation of cytokinesis
GO:0033173 calcineurin-NFAT signaling cascade
GO:0033555 multicellular organismal response to stress
GO:0034504 protein localization to nucleus
GO:0035458 cellular response to interferon-beta
GO:0042104 positive regulation of activated T cell proliferation
GO:0045669 positive regulation of osteoblast differentiation
GO:0045672 positive regulation of osteoclast differentiation
GO:0045785 positive regulation of cell adhesion
GO:0045807 positive regulation of endocytosis
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0045955 negative regulation of calcium ion-dependent exocytosis
GO:0046427 positive regulation of receptor signaling pathway via JAK-STAT
GO:0046676 negative regulation of insulin secretion
GO:0046878 positive regulation of saliva secretion
GO:0048741 skeletal muscle fiber development
GO:0048813 dendrite morphogenesis
GO:0050774 negative regulation of dendrite morphogenesis
GO:0050804 modulation of chemical synaptic transmission
GO:0051592 response to calcium ion
GO:0051649 establishment of localization in cell
GO:0055117 regulation of cardiac muscle contraction
GO:0060079 excitatory postsynaptic potential
GO:0060314 regulation of ryanodine-sensitive calcium-release channel activity
GO:0060315 negative regulation of ryanodine-sensitive calcium-release channel activity
GO:0060487 lung epithelial cell differentiation
GO:0061006 regulation of cell proliferation involved in kidney morphogenesis
GO:0070262 peptidyl-serine dephosphorylation
GO:0071333 cellular response to glucose stimulus
GO:0071346 cellular response to type II interferon
GO:0090150 establishment of protein localization to membrane
GO:0090151 establishment of protein localization to mitochondrial membrane
GO:0090193 positive regulation of glomerulus development
GO:0097205 renal filtration
GO:0097720 calcineurin-mediated signaling
GO:0098693 regulation of synaptic vesicle cycle
GO:0098901 regulation of cardiac muscle cell action potential
GO:0099149 regulation of postsynaptic neurotransmitter receptor internalization
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:0110062 negative regulation of angiotensin-activated signaling pathway
GO:0140056 organelle localization by membrane tethering
GO:0140238 presynaptic endocytosis
GO:1900242 regulation of synaptic vesicle endocytosis
GO:1903244 positive regulation of cardiac muscle hypertrophy in response to stress
GO:1905205 positive regulation of connective tissue replacement
GO:1990456 mitochondrion-endoplasmic reticulum membrane tethering
GO:2000300 regulation of synaptic vesicle exocytosis
Cellular Component
GO:0000922 spindle pole
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005813 centrosome
GO:0005819 spindle
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005876 spindle microtubule
GO:0005886 plasma membrane
GO:0005955 calcineurin complex
GO:0008076 voltage-gated potassium channel complex
GO:0009898 cytoplasmic side of plasma membrane
GO:0030017 sarcomere
GO:0030018 Z disc
GO:0030426 growth cone
GO:0030672 synaptic vesicle membrane
GO:0031514 motile cilium
GO:0031966 mitochondrial membrane
GO:0032991 protein-containing complex
GO:0034704 calcium channel complex
GO:0036057 slit diaphragm
GO:0042383 sarcolemma
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0043209 myelin sheath
GO:0044305 calyx of Held
GO:0045202 synapse
GO:0097225 sperm midpiece
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
GO:0099523 presynaptic cytosol
GO:0099524 postsynaptic cytosol
GO:0150034 distal axon
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4il1, PDBe:4il1, PDBj:4il1
PDBsum4il1
PubMed24018048
UniProtP0DP29|CALM1_RAT Calmodulin-1 (Gene Name=Calm1);
P63100;
P63329

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