Structure of PDB 4i5n Chain E Binding Site BS01

Receptor Information
>4i5n Chain E (length=357) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSQSIPTFYFPRGRPSVNVDAVISKIESTFARFPHERATMDDMGLVAKA
CGCPLYWKGPLFYGAGGERTGSVSVHKFVAMWRKILQNCHDDAAKFVHLL
MSPGCNYLVQEDFVPFLQDVVNTHPGLSFLKEASEFHSRYITTVIQRIFY
AVNRSWSGRITCAELRRSSFLQNVALLEEEADINQLTEFFSYEHFYVIYC
KFWELDTDHDLLIDADDLARHNDHALSTKMIDRIFSGAVTRGRKVQKEGK
ISYADFVWFLISEEDKKTPTSIEYWFRCMDLDGDGALSMFELEYFYEEQC
RRLDSMAIEALPFQDCLCQMLDLVKPRTEGKITLQDLKRCKLANVFFDTF
FNIEKYL
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 chain4i5n Chain E Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i5n Structure of the Ca(2+)-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D401 D403 D405 A407 E412
Binding residue
(residue number reindexed from 1)		D280 D282 D284 A286 E291
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:4i5n, PDBe:4i5n, PDBj:4i5n
PDBsum4i5n
PubMed23752926
UniProtQ99741;
Q9Y5P8|P2R3B_HUMAN Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit beta (Gene Name=PPP2R3B)

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