Structure of PDB 9d8s Chain A Binding Site BS03

Receptor Information
>9d8s Chain A (length=414) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKTSTIL
REVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFS
EHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFG
LSTCFQQNTKMKDRIGTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGT
PPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRI
TATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLY
MASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSN
SLIQGSTIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMER
AFKMFFNEFVEMLQ
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 chain9d8s Chain A Residue 603 [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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PDB9d8s Crystal Structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum (AMP/Mg bound)
Resolution2.12 Å
Binding residue
(original residue number in PDB)		D443 D445 S447 S449 E451 E454
Binding residue
(residue number reindexed from 1)		D370 D372 S374 S376 E378 E381
Annotation score4
External links