Structure of PDB 3mse Chain B Binding Site BS02

Receptor Information
>3mse Chain B (length=168) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISPNVLNNMKSYMKHSNIRNIIINIMAHELSVINNHIKYINELFYKLDTN
HNGSLSHREIYTVLASVGIKKWDINRILQALDINDRGNITYTEFMAGCYR
WKNITFLKAAFNKIDKDEDGYISKSDIVSLVHDKVLDNNDIDNFFLSVHS
IINKISFQEFKDYMLSTF
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 chain3mse Chain B Residue 183 [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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PDB3mse Crystal structure of C-terminal domain of PF110239
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D48 N50 N52 S54 E59
Binding residue
(residue number reindexed from 1)		D48 N50 N52 S54 E59
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.17: calcium/calmodulin-dependent protein kinase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:3mse, PDBe:3mse, PDBj:3mse
PDBsum3mse
PubMed
UniProtQ8IID5

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