Structure of PDB 4or9 Chain A Binding Site BS01

Receptor Information
>4or9 Chain A (length=399) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPPPPPPGADRVVKAVPFPPTHRLTSEEVFDLDGIPRVDVLKNHLVKEGR
VDEEIALRIINEGAAILRREKTMIEVEAPITVCGDIHGQFFDLMKLFEVG
GSPANTRYLFLGDYVDRGYFSIECVLYLWVLKILYPSTLFLLRGNHECRH
LTEYFTFKQECKIKYSERVYEACMEAFDSLPLAALLNQQFLCVHGGLSPE
IHTLDDIRRLDRFKEPPAFGPMCDLLWSDPSEDFGNEKSQEHFSHNTVRG
CSYFYNYPAVCEFLQNNNLLSIIRAHEAQDAGYRMYRKSQTTGFPSLITI
FSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLP
FVGEKVTEMLVNVLSICSDDELMARVFSVLRSFEEAKGLDRINERMPPR
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4or9 Chain A Residue 601 [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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PDB4or9 Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D99 H101 D127
Binding residue
(residue number reindexed from 1)		D85 H87 D113
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D99 H101 D127 D130 R131 N159 H160 H208 R263 H290
Catalytic site (residue number reindexed from 1) D85 H87 D113 D116 R117 N145 H146 H194 R249 H276
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:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0016787 hydrolase activity
GO:0017018 myosin phosphatase activity
GO:0019899 enzyme binding
GO:0030346 protein phosphatase 2B binding
GO:0033192 calmodulin-dependent protein phosphatase activity
GO:0046872 metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0001913 T cell mediated cytotoxicity
GO:0001915 negative regulation of T cell mediated cytotoxicity
GO:0001946 lymphangiogenesis
GO:0006468 protein phosphorylation
GO:0006470 protein dephosphorylation
GO:0006950 response to stress
GO:0007165 signal transduction
GO:0007507 heart development
GO:0007612 learning
GO:0007613 memory
GO:0010468 regulation of gene expression
GO:0016311 dephosphorylation
GO:0017156 calcium-ion regulated exocytosis
GO:0023057 negative regulation of signaling
GO:0030217 T cell differentiation
GO:0031987 locomotion involved in locomotory behavior
GO:0033173 calcineurin-NFAT signaling cascade
GO:0034097 response to cytokine
GO:0035774 positive regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0042098 T cell proliferation
GO:0042110 T cell activation
GO:0043029 T cell homeostasis
GO:0045893 positive regulation of DNA-templated transcription
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048167 regulation of synaptic plasticity
GO:0048675 axon extension
GO:0048741 skeletal muscle fiber development
GO:0050796 regulation of insulin secretion
GO:0070886 positive regulation of calcineurin-NFAT signaling cascade
GO:0097720 calcineurin-mediated signaling
GO:1900182 positive regulation of protein localization to nucleus
GO:1900242 regulation of synaptic vesicle endocytosis
GO:1905665 positive regulation of calcium ion import across plasma membrane
GO:1905673 positive regulation of lysosome organization
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:0030018 Z disc
GO:0030315 T-tubule
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:4or9, PDBe:4or9, PDBj:4or9
PDBsum4or9
PubMed
UniProtP16298|PP2BB_HUMAN Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform (Gene Name=PPP3CB)

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