Structure of PDB 6nuc Chain A Binding Site BS03

Receptor Information
>6nuc 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
NTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEY
FTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTL
DDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYF
YSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAP
NYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGE
KVTEMLVNVLN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6nuc Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6nuc Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D118 N150 H199 H281
Binding residue
(residue number reindexed from 1)		D109 N141 H190 H272
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D90 H92 D118 D121 R122 N150 H151 H199 R254 H281
Catalytic site (residue number reindexed from 1) D81 H83 D109 D112 R113 N141 H142 H190 R245 H272
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6nuc, PDBe:6nuc, PDBj:6nuc
PDBsum6nuc
PubMed31375679
UniProtQ08209|PP2BA_HUMAN Protein phosphatase 3 catalytic subunit alpha (Gene Name=PPP3CA)

[Back to BioLiP]