Structure of PDB 4o1p Chain C Binding Site BS01

Receptor Information
>4o1p Chain C (length=673) 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
KNWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGIYLGL
YEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSCLHVC
LALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSGYSHQ
DLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLYVVKK
GDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPEDRLSSLLAHPFFWS
WESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTLSTSFAQWTTKIDSFV
MEEMNAYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEPSQYFQEKFPD
LVMYVYTKLQNTEYMKHFPKTHN
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain4o1p Chain C Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4o1p Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Resolution2.5 Å
Binding residue
(original residue number in PDB)
A370 T372 I377 A388 K390 C435 T438 Q486 L489 D500
Binding residue
(residue number reindexed from 1)
A339 T341 I346 A357 K359 C404 T407 Q455 L458 D469
Annotation score4
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:4o1p, PDBe:4o1p, PDBj:4o1p
PDBsum4o1p
PubMed24462203
UniProtA5H025

[Back to BioLiP]