Structure of PDB 6tz8 Chain A Binding Site BS01

Receptor Information
>6tz8 Chain A (length=372) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GENLYFQEIVSTTERVIKDVQAPAMYVPTDDQFWSKVDKTKPDIAFLKNH
FYREGRLTEEQALYILEKGGELLRSEPNLLEVDAPITVCGDIHGQYYDLM
KLFEVGGNPADTRYLFLGDYVDRGYFSIECVLYLWSLKMWYPDTLFLLRG
NHECRHLTDYFTFKLECKHKYSETVYNACMESFCNLPLAAVMNKQFLCIH
GGLSPELHTLDDLRSINRFREPPTQGLMCDILWADPLEDFGSEKTNENFL
HNHVRGCSYFFTYNAACQFLERNNLLSIIRAHEAQDAGYRMYRKTKTTGF
PSVMTIFSAPNYLDVYSNKAAVLKYESNVMNIRQFNCTPHPYWLPNFMDV
FTWSLPFVGEKITDMLIAILNC
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 chain6tz8 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tz8 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D120 H122 D148 H311
Binding residue
(residue number reindexed from 1)		D91 H93 D119 H282
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6tz8, PDBe:6tz8, PDBj:6tz8
PDBsum6tz8
PubMed31537789
UniProtO42773|PP2B1_CRYNH Serine/threonine-protein phosphatase 2B catalytic subunit A1 (Gene Name=CNA1)

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