Structure of PDB 7elw Chain b Binding Site BS03

Receptor Information
>7elw Chain b (length=676) 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
TALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLHN
WKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGIYLGLYE
DQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSCLHVCLA
LCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSGYSHQDL
QPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLYVVKKGD
ISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGDNVEDRLSSLLAHPFF
WSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTESTSFAQWTTKIDS
FVMEEMNAYNLYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEPSQYFQ
EKFPDLVMYVYTKLQNTEYMKHFPKT
Ligand information
Ligand IDMYC
InChIInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChIKeyIKMDFBPHZNJCSN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CACTVS 3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
FormulaC15 H10 O8
Name3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
3,3',4',5,5',7-HEXAHYDROXYFLAVONE;
MYRICETIN;
CANNABISCETIN
ChEMBLCHEMBL164
DrugBankDB02375
ZINCZINC000003874317
PDB chain7elw Chain b Residue 802 [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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PDB7elw Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
Resolution3.55 Å
Binding residue
(original residue number in PDB)		R340 I369 A370 A388 L432 A433 C435 T438 E441 L489 A499 D500
Binding residue
(residue number reindexed from 1)		R307 I336 A337 A355 L399 A400 C402 T405 E408 L456 A466 D467
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:7elw, PDBe:7elw, PDBj:7elw
PDBsum7elw
PubMed
UniProtA5H025

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