Structure of PDB 7dsy Chain a Binding Site BS02

Receptor Information
>7dsy Chain a (length=672) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEEMLTQAVQEADIEQVRQLLERGADANFQEEEWGWSPLHSAVQMDSED
LVALLLKHGADPCLRKRNGATPFIIAGITGNVRLLQLLLPNVEDVNECDV
NGFTAFMEAAVYGRVEALRFLYENGADVNMHRKTKQDQERIRKGGATALM
DAAEKGHVGVVTILLHAMKAEVDARDNMGRNALVYALLNPDDGKAKAITR
LLLDHGADVNVRGEGSKTPLILAVERKNLDLVQMLLEQEQIEVNDTDREG
KTALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLH
NWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGIYLGLY
EDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSCLHVCL
ALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSGYSHQD
LQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLYVVKKG
DISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGEDRLSSLLAHPFFWS
WESRYRTLRDVGNESDIKTRNQNSRILQLLQPSELSTSFAQWTTKIDSFV
MEEMNALYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEPSQYFQEKFP
DLVMYVYTKLQNTEYMKHFPKT
Ligand information
Ligand IDHFX
InChIInChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1
InChIKeyPGSSJIDFZJTWLZ-AWEZNQCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)c1sc(Cl)c2CCCC(=O)c12
CACTVS 3.385C[S@](=O)c1sc(Cl)c2CCCC(=O)c12
OpenEye OEToolkits 2.0.7CS(=O)c1c2c(c(s1)Cl)CCCC2=O
FormulaC9 H9 Cl O2 S2
Name1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
ChEMBL
DrugBank
ZINCZINC000004351318
PDB chain7dsy Chain a Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7dsy Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
Resolution2.651 Å
Binding residue
(original residue number in PDB)		I369 L489
Binding residue
(residue number reindexed from 1)		I337 L457
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004540 RNA nuclease activity
GO:0004672 protein kinase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006397 mRNA processing
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7dsy, PDBe:7dsy, PDBj:7dsy
PDBsum7dsy
PubMed
UniProtA5H025

[Back to BioLiP]