Structure of PDB 6tz6 Chain A Binding Site BS02

Receptor Information
>6tz6 Chain A (length=361) Species: 294748 (Candida albicans WO-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVERAVKSVDPPATFKPKDEQVFYPNGKPNHQFLKQHFIHEGRLHEHQAI
QILKQATHLLSKEPNLLSVPAPVTICGDVHGQYYDLMKLFEVGGDPASTK
YLFLGDYVDRGSFSIECLLYLYSLKINYPDTFWMLRGNHECRHLTEYFTF
KNECLHKYSEELYEECLVSFNALPLAAIMNEQFFCVHGGLSPQLTSLDSL
RKLHRFREPPTKGLMCDLLWADPIEEYDDDNLDQEYVTNVVRGCSFAFTY
KAACKFLDRTKLLSVIRAHEAQNAGYRMYKRTKTMGFPSLLTMFSAPNYL
DSYNNKAAVLKYENNVMNIRQFNASPHPYWLPHFMDVFTWSLPFVGEKVT
DMLVSILNVCT
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6tz6 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tz6 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D139 H141 D167
Binding residue
(residue number reindexed from 1)		D78 H80 D106
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0033192 calmodulin-dependent protein phosphatase activity
Biological Process
GO:0097720 calcineurin-mediated signaling

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6tz6, PDBe:6tz6, PDBj:6tz6
PDBsum6tz6
PubMed31537789
UniProtC4YFI3

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