Structure of PDB 6m11 Chain b Binding Site BS02

Receptor Information
>6m11 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]
LEEMLTQAVQEADIEQVRQLLERGADANFQEEEWGWSPLHSAVQMDSEDL
VALLLKHGADPCLRKRNGATPFIIAGITGNVRLLQLLLPNVEDVNECDVN
GFTAFMEAAVYGRVEALRFLYENGADVNMHRKTKQDQERIRKGGATALMD
AAEKGHVGVVTILLHAMKAEVDARDNMGRNALVYALLNPDDGKAKAITRL
LLDHGADVNVRGEGSKTPLILAVERKNLDLVQMLLEQEQIEVNDTDREGK
TALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLHA
GEDFPPANWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEG
GIYLGLYEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDG
SCLHVCLALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHR
SGYSHQDLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLV
LYVVKKGDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPGDNVEDRLS
SLLAHPFFWSWESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTESTSFA
QWTTKIDSFVMEEMNAYNLYQDTLGDLLKFIRNLGEHINEQKNKKMKSII
GEPSQYFQEKFPDLVMYVYTKLQNTEYMKHFPKT
Ligand information
Ligand ID25A
InChIInChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
InChIKeySIIZPVYVXNXXQG-UQTMIEBXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]5[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]5n6cnc7c(N)ncnc67)O[C@H]4n8cnc9c(N)ncnc89)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O
FormulaC30 H38 N15 O19 P3
Name5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
ChEMBLCHEMBL414948
DrugBank
ZINC
PDB chain6m11 Chain b 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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PDB6m11 Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		W58 K87 N122 F124 E129 R153
Binding residue
(residue number reindexed from 1)		W36 K65 N100 F102 E107 R131
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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