Structure of PDB 6tz6 Chain E Binding Site BS02

Receptor Information
>6tz6 Chain E (length=146) Species: 294748 (Candida albicans WO-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEEIDRLRKRFMKDGSGQIDKQEFLSIPGISSNPLATRLMDVFDKDGDGS
IDFEEFITGLSAFKSDNLNKLRFAFNIYDIDRDGYIGNGELFIVMKMMVG
KNLKDEELQQIVDKTLMEADLDGDGKLNFEEFKNAVNTDTIANTLT
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 chain6tz6 Chain E Residue 201 [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)		D143 D145 D147 K149 E154
Binding residue
(residue number reindexed from 1)		D120 D122 D124 K126 E131
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
GO:0019902 phosphatase binding
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation
GO:0097720 calcineurin-mediated signaling
Cellular Component
GO:0005955 calcineurin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6tz6, PDBe:6tz6, PDBj:6tz6
PDBsum6tz6
PubMed31537789
UniProtC4YS24

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