Structure of PDB 6tz7 Chain A Binding Site BS01

Receptor Information

>6tz7 Chain A (length=358) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLERVIKEVQAPALSTPTDEMFWSPEDPSKPNLQFLKQHFYREGRLTEEQ
ALWIIHAGTQILRSEPNLLEMDAPITVCGDVHGQYYDLMKLFEVGGDPSE
TRYLFLGDYVDRGYFSIECVLYLWALKIWYPNSLWLLRGNHECRHLTDYF
TFKLECKHKYSERIYEACIESFCALPLAAVMNKQFLCIHGGLSPELHTLE
DIKSIDRFREPPTHGLMCDILWADPLEEFGQEKTGDYFVHNSVRGCSYFF
SYPAACAFLEKNNLLSIIRAHEAQDAGYRMYRKTRTTGFPSVMTIFSAPN
YLDVYNNKAAVLKYENNVMNIRQFNCTPHPYWLPNFMDVFTWSLPFVGEK
ITDMLIAI

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

6tz7 Chain A Residue 401 [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	6tz7 Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	D116 N148 H197 H279
Binding residue (residue number reindexed from 1)	D108 N140 H189 H271
Annotation score	1

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:6tz7, PDBe:6tz7, PDBj:6tz7
PDBsum	6tz7
PubMed	31537789
UniProt	Q4WUR1\|PP2B_ASPFU Serine/threonine-protein phosphatase 2B catalytic subunit (Gene Name=cnaA)

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