Structure of PDB 3igo Chain A Binding Site BS01

Receptor Information

>3igo Chain A (length=446) Species: 353152 (Cryptosporidium parvum Iowa II)

QGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKTST
ILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKR
FSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIID
FGLSTCFQQNTTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGTPPFYG
KNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQC
LEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKL
TTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSNSLIQG
STIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMERAFKMF
DKDGSGKISTKELFKLESIIEQVDNNKDGEVDFNEFVEMLQNFVRN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3igo Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3igo Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): D515 N517 D519 E521 E526
• Binding residue (residue number reindexed from 1): D424 N426 D428 E430 E435
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D198 K200 E202 N203 D219 T238
• Catalytic site (residue number reindexed from 1): D129 K131 E133 N134 D150 T162

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005509 calcium ion binding
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:3igo, PDBe:3igo, PDBj:3igo
• PDBsum: 3igo
• PubMed: 20436473
• UniProt: A3FQ16