Structure of PDB 7u0u Chain A Binding Site BS04

Receptor Information
>7u0u Chain A (length=195) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPYWLPNFMDVFTWSLPFVGEKITDMLIAILNIVSASNFDRDEVDRLRKR
FMKLDKDSSGTIDRDEFLSLPQVSSNPLATRMIAIFDEDGGGDVDFQEFV
SGLSAFSSKGNKEEKLRFAFKVYDIDRDGYISNGELFIVLKMMVGNNLKD
VQLQQIVDKTIMEADKDRDGKISFEEFTEMVENTDVSLSMTLSMF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7u0u Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7u0u Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D85 D87 D91 E96
Binding residue
(residue number reindexed from 1)		D87 D89 D93 E98
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0008597 calcium-dependent protein serine/threonine phosphatase regulator activity

View graph for
Molecular Function
External links
PDB RCSB:7u0u, PDBe:7u0u, PDBj:7u0u
PDBsum7u0u
PubMed35604094
UniProtQ4WUR1|PP2B_ASPFU Serine/threonine-protein phosphatase 2B catalytic subunit (Gene Name=cnaA)

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