Structure of PDB 5b8i Chain B Binding Site BS03

Receptor Information
>5b8i Chain B (length=171) Species: 246410 (Coccidioides immitis RS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSQVLNDIVSGSNFDHEEVDRLWKRFMKLDRDKSGTIERDEFLSLPQVS
SNPLSTRMIAIFDEDGGGDVDFQEFVSGLSAFSSKGNKEEKLRFAFKVYD
IDRDGFISNGELFIVLKMMVGSNLKDMQLQQIVDKTIMEADLDGDGRISF
EEFTRMVENTDVSMSMTLDQF
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 chain5b8i Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b8i Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D100 D102 D104 F106 E111
Binding residue
(residue number reindexed from 1)		D100 D102 D104 F106 E111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0008597 calcium-dependent protein serine/threonine phosphatase regulator activity

View graph for
Molecular Function
External links
PDB RCSB:5b8i, PDBe:5b8i, PDBj:5b8i
PDBsum5b8i
PubMed31537789
UniProtA0A0D8JSK0

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