Structure of PDB 3rl5 Chain A Binding Site BS01

Receptor Information
>3rl5 Chain A (length=279) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTITVDEYSSNPTQAFTHYNINQSRFQPPHVHMVDPIPYDTPKPAGHTRF
VCISDTRSRTDGIQMPYGDILLHTGDFTELGLPSEVKKFNDWLGNLPYEY
KIVIAGNHELTFDKEFMADLVKQDYYRFPSVSKLKPEDFDNVQSLLTNSI
YLQDSEVTVKGFRIYGAPWTPWGWGFNLPRGQSLLDKWNLIPEGTDILMT
HGPPLGFRDWVPKELQRVGCVELLNTVQRRVRPKLHVFGGIHEGYGTMTD
GYTTYINASTCTVSFQPTNPPIIFDLPNP
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 chain3rl5 Chain A Residue 666 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rl5 Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
Resolution1.26 Å
Binding residue
(original residue number in PDB)		E147 D150 N151
Binding residue
(residue number reindexed from 1)		E137 D140 N141
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008081 phosphoric diester hydrolase activity
GO:0016208 AMP binding
GO:0016787 hydrolase activity
GO:0019002 GMP binding
GO:0030145 manganese ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3rl5, PDBe:3rl5, PDBj:3rl5
PDBsum3rl5
PubMed21824479
UniProtB1WBP0|MPPD2_RAT Metallophosphoesterase MPPED2 (Gene Name=Mpped2)

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