Structure of PDB 4ygy Chain A Binding Site BS02

Receptor Information
>4ygy Chain A (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYLLPEAKAQDSDKICVVINLDETLVHSSFKPVNNADFIIPVEIDGVVHQ
VYVLKRPHVDEFLQRMGELFECVLFTASLAKYADPVADLLDKWGAFRARL
FRESCVFHRGNYVKDLSRLGRDLRRVLILDNSPASYVFHPDNAVPVASWF
DNMSDTELHDLLPFFEQLSRVDDVYSVLR
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 chain4ygy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ygy Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Resolution2.36 Å
Binding residue
(original residue number in PDB)		N96 D98 N207
Binding residue
(residue number reindexed from 1)		N20 D22 N131
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:4ygy, PDBe:4ygy, PDBj:4ygy
PDBsum4ygy
PubMed26332362
UniProtQ9GZU7|CTDS1_HUMAN Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (Gene Name=CTDSP1)

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