Structure of PDB 6m11 Chain a Binding Site BS02

Receptor Information
>6m11 Chain a (length=681) 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
KAGDFRPAENWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTA
EGGIYLGLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSES
DGSCLHVCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGEL
HRSGYSHQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGL
LVLYVVKKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGEDRLSS
LLAHPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPSELSTSFAQ
WTTKIDSFVMEEMNALYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEP
SQYFQEKFPDLVMYVYTKLQNTEYMKHFPKT
Ligand information
Ligand IDB49
InChIInChI=1S/C22H27FN4O2/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-
InChIKeyWINHZLLDWRZWRT-ATVHPVEESA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C/2C(=O)Nc3ccc(F)cc/23)c1C
OpenEye OEToolkits 1.7.2CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C
OpenEye OEToolkits 1.7.2CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C
ACDLabs 12.01O=C(NCCN(CC)CC)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C
CACTVS 3.370CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C
FormulaC22 H27 F N4 O2
NameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide;
SUNITINIB
ChEMBLCHEMBL535
DrugBankDB01268
ZINCZINC000003964325
PDB chain6m11 Chain a Residue 1001 [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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PDB6m11 Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		A370 I377 A388 L434 T438 E441 L489
Binding residue
(residue number reindexed from 1)		A347 I354 A365 L411 T415 E418 L466
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:6m11, PDBe:6m11, PDBj:6m11
PDBsum6m11
PubMed32830849
UniProtA5H025

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