Structure of PDB 6tz8 Chain B Binding Site BS02

Receptor Information

>6tz8 Chain B (length=174) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GAAESSMFNSLEKNSNFSGPELMRLKKRFMKLDKDGSGSIDKDEFLQIPQ
IANNPLAHRMIAIFDEDGSGTVDFQEFVGGLSAFSSKGGRDEKLRFAFKV
YDMDRDGYISNGELYLVLKQMVGNNLKDQQLQQIVDKTIMEADKDGDGKL
SFEEFTQMVASTDIVKQMTLEDLF

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

6tz8 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6tz8 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	D66 D68 S70 T72 E77
Binding residue (residue number reindexed from 1)	D65 D67 S69 T71 E76
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005509	calcium ion binding
GO:0005515	protein 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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Cellular Component

External links

PDB	RCSB:6tz8, PDBe:6tz8, PDBj:6tz8
PDBsum	6tz8
PubMed	31537789
UniProt	J9VL81

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