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BioLiP

Structure of PDB 6tz7 Chain B Binding Site BS01

Receptor Information
>6tz7 Chain B (length=122) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVDRLRKRFMKLSNPLATRMIAIFDEDGGGDVDFQEFVSGLSAFSKEEKL
RFAFKVYDIDRDGYISNGELFIVLKMMVGNNLKDVQLQQIVDKTIMEADK
DRDGKISFEEFTEMVENTSMTL
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 chain6tz7 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tz7 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D122 D124 D126 Y128 E133
Binding residue
(residue number reindexed from 1)		D58 D60 D62 Y64 E69
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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

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Cellular Component
External links

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