Structure of PDB 7dts Chain b Binding Site BS03

Receptor Information
>7dts Chain b (length=680) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEEMLTQAVQEADIEQVRQLLERGADANFQEEEWGWSPLHSAVQMDSEDL
VALLLKHGADPCLRKRNGATPFIIAGITGNVRLLQLLLPNVEDVNECDVN
GFTAFMEAAVYGRVEALRFLYENGADVNMHRKTKQDQERIRKGGATALMD
AAEKGHVGVVTILLHAMKAEVDARDNMGRNALVYALLNPDDGKAKAITRL
LLDHGADVNVRGEGSKTPLILAVERKNLDLVQMLLEQEQIEVNDTDREGK
TALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLHP
PAENWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGIYL
GLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSCLH
VCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSGYS
HQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLYVV
KKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGDNVEDRLSSLLA
HPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTLSTSFAQWTT
KIDSFVMEEMNAYNLYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEPS
QYFQEKFPDLVMYVYTKLQNTEYMKHFPKT
Ligand information
Ligand ID27K
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKeyQFOHBWFCKVYLES-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCOC(=O)c1ccc(cc1)O
CACTVS 3.385CCCCOC(=O)c1ccc(O)cc1
ACDLabs 12.01O=C(OCCCC)c1ccc(O)cc1
FormulaC11 H14 O3
Namebutyl 4-hydroxybenzoate
ChEMBLCHEMBL459008
DrugBankDB14084
ZINCZINC000001586769
PDB chain7dts Chain b Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dts Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
Resolution2.63 Å
Binding residue
(original residue number in PDB)		I377 A388 L434 C435 E436 Y437 L489 A499 D500
Binding residue
(residue number reindexed from 1)		I348 A359 L405 C406 E407 Y408 L460 A470 D471
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:7dts, PDBe:7dts, PDBj:7dts
PDBsum7dts
PubMed
UniProtA5H025

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