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Structure of PDB 3khe Chain B Binding Site BS01

Receptor Information
>3khe Chain B (length=191) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKHALTGALGNMKKFQSSQKLAQAAMLFMGSKLTTLEETKELTQIFRQLD
NNGDGQLDRKELIEGYRKLMQWKGDTVSDLDSSQIEAEVDHILQSVDFDR
NGYIEYSEFVTVCMDKQLLLSRERLLAAFQQFDSDGSGKITNEELGRLFG
VTEVDDETWHQVLQECDKNNDGEVDFEEFVEMMQKICDVKV
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 chain3khe Chain B Residue 192 [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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PDB3khe Structures of parasitic CDPK domains point to a common mechanism of activation.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D50 N52 D54 Q56 E61
Binding residue
(residue number reindexed from 1)		D50 N52 D54 Q56 E61
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links

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