Structure of PDB 3pgl Chain A Binding Site BS01

Receptor Information
>3pgl Chain A (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYLLPEAKAQDSDKICVVIDLDETLVHSSFKPVNNADFIIPVEIDGVVHQ
VYVLKRPHVDEFLQRMGELFECVLFTASLAKYADPVADLLDKWGAFRARL
FRESCVFHRGNYVKDLSRLGRDLRRVLILDNSPASYVFHPDNAVPVASWF
DNMSDTELHDLLPFFEQLSRVDDVYSVLRQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3pgl Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3pgl Selective inactivation of a human neuronal silencing phosphatase by a small molecule inhibitor.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		D96 D98 N207
Binding residue
(residue number reindexed from 1)		D20 D22 N131
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0008420 RNA polymerase II CTD heptapeptide repeat phosphatase activity
GO:0016791 phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:3pgl, PDBe:3pgl, PDBj:3pgl
PDBsum3pgl
PubMed21348431
UniProtQ9GZU7|CTDS1_HUMAN Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (Gene Name=CTDSP1)

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