Structure of PDB 3rl3 Chain A Binding Site BS02

Receptor Information
>3rl3 Chain A (length=276) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTITVDEYSSNPTQAFTHYNINQSRFQPPHVHMVDPIPYDTPKPAGHTRF
VCISDTHSRTDGIQMPYGDILLHTGDFTELGLPSEVKKFNDWLGNLPYEY
KIVIAGNHELTFDKEFMADLVRFPSVSKLKPEDFDNVQSLLTNSIYLQDS
EVTVKGFRIYGAPWTPWFNGWGFNLPRGQSLLDKWNLIPEGTDILMTHGP
PLGFRDWVPKELQRVGCVELLNTVQRRVRPKLHVFGGIHEGYGTMTDGYT
TYINASTCTVSFQPTNPPIIFDLPNP
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 chain3rl3 Chain A Residue 555 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rl3 Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		D86 N117 H213
Binding residue
(residue number reindexed from 1)		D76 N107 H198
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:3rl3, PDBe:3rl3, PDBj:3rl3
PDBsum3rl3
PubMed21824479
UniProtB1WBP0|MPPD2_RAT Metallophosphoesterase MPPED2 (Gene Name=Mpped2)

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