Structure of PDB 3rl4 Chain A Binding Site BS03

Receptor Information
>3rl4 Chain A (length=275) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTITVDEYSSNPTQAFTHYNINQSRFQPPHVHMVDPIPYDTPKPAGHTRF
VCISDTHSRTDGIQMPYGDILLHTGDFTELGLPSEVKKFNDWLGNLPYEY
KIVIAGNHELTFDKEFMADLVFPSVSKLKPEDFDNVQSLLTNSIYLQDSE
VTVKGFRIYGAPWTPWFNGWGFNLPRGQSLLDKWNLIPEGTDILMTHGPP
LGFRDWVPKELQRVGCVELLNTVQRRVRPKLHVFGHIHEGYGTMTDGYTT
YINASTCTVSFQPTNPPIIFDLPNP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3rl4 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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PDB3rl4 Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		E147 D150 N151
Binding residue
(residue number reindexed from 1)		E131 D134 N135
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:3rl4, PDBe:3rl4, PDBj:3rl4
PDBsum3rl4
PubMed21824479
UniProtB1WBP0|MPPD2_RAT Metallophosphoesterase MPPED2 (Gene Name=Mpped2)

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