Structure of PDB 3lij Chain A Binding Site BS05

Receptor Information
>3lij Chain A (length=465) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGDLQATPGMFITSKKGHLSEMYQRVKKLGSGEVLLCRDKVTHVERAI
KIIRKSSNSKLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGE
LFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESK
EKDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLRKKYDEKCDVWS
IGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLI
KQMLQFDSQRRISAQQALEHPWIKEMCSKKESLPSLANAIENMRKFQNSQ
KLAQAALLYMASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYSKL
SGEEVAVFPQIESEVDAILGAADFDRNGYIDYSEFVTVAMDRKSLLSKDK
LESAFQKFDQDGNGKISVDELASVFLDHLESKTWKEMISGIDSNNDGDVD
FEEFCKMIQKLCSNN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3lij Chain A Residue 521 [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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PDB3lij Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N189 D205
Binding residue
(residue number reindexed from 1)		N144 D160
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D184 K186 E188 N189 D205 T224
Catalytic site (residue number reindexed from 1) D139 K141 E143 N144 D160 T179
Enzyme Commision number 2.7.1.-
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004683 calcium/calmodulin-dependent protein kinase activity
GO:0005509 calcium ion binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0009931 calcium-dependent protein serine/threonine kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0035556 intracellular signal transduction
GO:0046777 protein autophosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lij, PDBe:3lij, PDBj:3lij
PDBsum3lij
PubMed
UniProtQ5CS01

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