Structure of PDB 6tz7 Chain B Binding Site BS03

Receptor Information

>6tz7 Chain B (length=122) Species: 330879 (Aspergillus fumigatus Af293)

EVDRLRKRFMKLSNPLATRMIAIFDEDGGGDVDFQEFVSGLSAFSKEEKL
RFAFKVYDIDRDGYISNGELFIVLKMMVGNNLKDVQLQQIVDKTIMEADK
DRDGKISFEEFTEMVENTSMTL

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: 6tz7 Chain B Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6tz7 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D85 D87 D91 V92 E96
• Binding residue (residue number reindexed from 1): D25 D27 D31 V32 E36
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004723 calcium-dependent protein serine/threonine phosphatase activity
• GO:0005509 calcium ion binding
• GO:0008597 calcium-dependent protein serine/threonine phosphatase regulator activity
• GO:0019902 phosphatase binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000747 conjugation with cellular fusion
• GO:0006873 intracellular monoatomic ion homeostasis
• GO:0031505 fungal-type cell wall organization
• GO:0071444 cellular response to pheromone
• GO:0097720 calcineurin-mediated signaling

Cellular Component

• GO:0005955 calcineurin complex

External links

• PDB: RCSB:6tz7, PDBe:6tz7, PDBj:6tz7
• PDBsum: 6tz7
• PubMed: 31537789
• UniProt: Q4WDF2