Structure of PDB 6tz7 Chain A Binding Site BS02

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/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

6tz7 Chain A Residue 402 [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)	D88 H90 D116
Binding residue (residue number reindexed from 1)	D80 H82 D108
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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