Structure of PDB 6epa Chain A Binding Site BS01

Receptor Information

>6epa Chain A (length=183) Species: 7227 (Drosophila melanogaster)

KKNSKLKQDTIDRLTTDTYFTEKEIRQWHKGFLKDCPNGLLTEQGFIKIY
KQFFPDGDPSKFASLVFRVFDENNDGAIEFEEFIRALSITSRGNLDEKLH
WAFRLYDVDNDGYITREEMYNIVDAIYQMVGQQPQTEDENTPQKRVDKIF
DQMDKNHDDRLTLEEFREGSKADPRMVQALSLG

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: 6epa Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6epa Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): D73 N75 D77 A79 E84
• Binding residue (residue number reindexed from 1): D71 N73 D75 A77 E82
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0005515 protein binding
• GO:0008048 calcium sensitive guanylate cyclase activator activity
• GO:0046872 metal ion binding

Biological Process

• GO:0007268 chemical synaptic transmission
• GO:0007269 neurotransmitter secretion
• GO:0007528 neuromuscular junction development
• GO:0016192 vesicle-mediated transport
• GO:0046928 regulation of neurotransmitter secretion

Cellular Component

• GO:0005737 cytoplasm
• GO:0008021 synaptic vesicle

External links

• PDB: RCSB:6epa, PDBe:6epa, PDBj:6epa
• PDBsum: 6epa
• PubMed: 29966094
• UniProt: Q9VWX8|FRQ2_DROME Frequenin-2 (Gene Name=Frq2)