Structure of PDB 6m12 Chain a Binding Site BS01

Receptor Information
>6m12 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
KPPAENWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGI
YLGLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSC
LHVCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSG
YSHQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLY
VVKKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGDNVEDRLSSL
LAHPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPSELSTSFAQW
TTKIDSFVMEEMNAYLYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEP
SQYFQEKFPDLVMYVYTKLQNTEYMKHFPKT
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 a Residue 801 [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)		I369 A370 A388 L432 L489 A499 D500
Binding residue
(residue number reindexed from 1)		I342 A343 A361 L405 L462 A472 D473
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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