Structure of PDB 6m13 Chain b Binding Site BS02

Receptor Information
>6m13 Chain b (length=688) 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
TALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLHA
GEDFRPPAENWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTA
EGGIYLGLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSES
DGSCLHVCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGEL
HRSGYSHQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGL
LVLYVVKKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGVEDRLS
SLLAHPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTSELSTS
FAQWTTKIDSFVMEEMNAGNLYQDTLGDLLKFIRNLGEHINEQKNKKMKS
IIGEPSQYFQEKFPDLVMYVYTKLQNTEYMKHFPKTHN
Ligand information
Ligand IDBWC
InChIInChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
InChIKeySRSGVKWWVXWSJT-ATVHPVEESA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4
OpenEye OEToolkits 2.0.6Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F
CACTVS 3.385Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4
OpenEye OEToolkits 2.0.6Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4cc(ccc4NC3=O)F
FormulaC22 H25 F N4 O2
Name5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
ChEMBLCHEMBL13608
DrugBank
ZINCZINC000003989258
PDB chain6m13 Chain b Residue 901 [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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PDB6m13 Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Resolution2.56 Å
Binding residue
(original residue number in PDB)		I369 A370 A388 E441 L489
Binding residue
(residue number reindexed from 1)		I346 A347 A365 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:6m13, PDBe:6m13, PDBj:6m13
PDBsum6m13
PubMed32830849
UniProtA5H025

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