Structure of PDB 6nuu Chain A Binding Site BS02

Receptor Information

>6nuu Chain A (length=361) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEES
VALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPA
NTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRALTEA
FTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTL
DDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYF
YSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAP
NYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGE
KVTEMLVNVLN

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

6nuu 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	6nuu Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	D90 H92 D118
Binding residue (residue number reindexed from 1)	D81 H83 D109
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:6nuu, PDBe:6nuu, PDBj:6nuu
PDBsum	6nuu
PubMed	31375679
UniProt	Q08209\|PP2BA_HUMAN Protein phosphatase 3 catalytic subunit alpha (Gene Name=PPP3CA)

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