Structure of PDB 6m12 Chain b Binding Site BS03

Receptor Information
>6m12 Chain b (length=684) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEMLTQAVQEADIEQVRQLLERADANFQEEEWGWSPLHSAVQMDSEDLVA
LLLKHGADPCLRKRNGATPFIIAGITGNVRLLQLLLPNVEDVNECDVNGF
TAFMEAAVYGRVEALRFLYENGADVNMHRKTKQDQERIRKGGATALMDAA
EKGHVGVVTILLHAMKAEVDARDNMGRNALVYALLNPDDGKAKAITRLLL
DHGADVNVRGEGSKTPLILAVERKNLDLVQMLLEQEQIEVNDTDREGKTA
LLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLHKAG
EDFRPPAENWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAE
GGIYLGLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESD
GSCLHVCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELH
RSGYSHQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLL
VLYVVKKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGDNVEDRL
SSLLAHPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTLSTSF
AQWTTKIDSFVMEEMNAYNLYQDTLGDLLKFIRNLGEHINEQKNKKMKSI
IGEPSQYFQEKFPDLVMYVYTKLQNTEYMKHFPK
Ligand information
Ligand IDJ60
InChIInChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKeyXPLJEFSRINKZLC-ATVHPVEESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Cl)cc23)c1C
ACDLabs 10.04O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C
OpenEye OEToolkits 1.5.0CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C
CACTVS 3.341CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2C(=O)Nc3ccc(Cl)cc\23)c1C
OpenEye OEToolkits 1.5.0CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)Cl)C
FormulaC22 H27 Cl N4 O2
Name5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
ChEMBLCHEMBL13485
DrugBankDB08009
ZINCZINC000003989259
PDB chain6m12 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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PDB6m12 Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R340 I369 A370 A388 A433 C435 E441 L489
Binding residue
(residue number reindexed from 1)		R316 I345 A346 A364 A409 C411 E417 L465
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:6m12, PDBe:6m12, PDBj:6m12
PDBsum6m12
PubMed32830849
UniProtA5H025

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