Structure of PDB 5qom Chain A Binding Site BS01

Receptor Information
>5qom Chain A (length=149) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVPTYGAIILDETLENVLLVQGYLAKSGWGFPKGKVNKEEAPHDCAAREV
FEETGFDIKDYICKDDYIELRINDQLARLYIIPGIPKDTKFNPKTRREIR
NIEWFSIEKLPCHRNDMTPKSKLGLAPNKFFMAIPFIRPLRDWLSRRFG
Ligand information
Ligand IDLDV
InChIInChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyDGCGMYNLCDVYMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1CCN(CC1)Cc2c[nH]c3c2cccc3
CACTVS 3.385CC1CCN(CC1)Cc2c[nH]c3ccccc23
ACDLabs 12.01N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
FormulaC15 H20 N2
Name3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
ChEMBLCHEMBL57478
DrugBank
ZINCZINC000000142608
PDB chain5qom Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qom PanDDA analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		F186 N187 P188 R191 N196 I197 W199
Binding residue
(residue number reindexed from 1)		F91 N92 P93 R96 N101 I102 W104
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.62: 5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0140933 5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
Biological Process
GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay
GO:0000290 deadenylation-dependent decapping of nuclear-transcribed mRNA

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Molecular Function
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Biological Process
External links
PDB RCSB:5qom, PDBe:5qom, PDBj:5qom
PDBsum5qom
PubMed
UniProtQ8IU60|DCP2_HUMAN m7GpppN-mRNA hydrolase (Gene Name=DCP2)

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