Structure of PDB 4o1p Chain C Binding Site BS01
Receptor Information
>4o1p Chain C (length=673) Species:
9823
(Sus scrofa) [
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SLEEMLTQAVQEADIEQVRQLLERGADANFQEEEWGWSPLHSAVQMDSED
LVALLLKHGADPCLRKRNGATPFIIAGITGNVRLLQLLLPNVEDVNECDV
NGFTAFMEAAVYGRVEALRFLYENGADVNMHRKTKQDQERIRKGGATALM
DAAEKGHVGVVTILLHAMKAEVDARDNMGRNALVYALLNPDDGKAKAITR
LLLDHGADVNVRGEGSKTPLILAVERKNLDLVQMLLEQEQIEVNDTDREG
KTALLLAVELRLEEIAKLLCHRGASTNCGDLVAIARRNYDSDLVKFLRLH
KNWKPQSSRWGEALKHLHRIWRPMIGKLKIFIDEEYKIADTAEGGIYLGL
YEDQEVAVKRFSEGSTRGQQEVSCLQSSRANDNVVTFYGSESDGSCLHVC
LALCEYTLQEHLANHRGDAVPNEEDESARNILSSLFKAIGELHRSGYSHQ
DLQPQNILIDSKNGTFLADFDKSIKWAEDPQKIKRDLEALGLLVLYVVKK
GDISFETLKNQSFEEVIQGSPDEETRDLIHHLFHPEDRLSSLLAHPFFWS
WESRYRTLRDVGNESDIKTRNQNSRILQLLQPGTLSTSFAQWTTKIDSFV
MEEMNAYQDTLGDLLKFIRNLGEHINEQKNKKMKSIIGEPSQYFQEKFPD
LVMYVYTKLQNTEYMKHFPKTHN
Ligand information
Ligand ID
ANP
InChI
InChI=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
InChIKey
PVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(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 12.01
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0
c1nc(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
Formula
C10 H17 N6 O12 P3
Name
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBL
CHEMBL1230989
DrugBank
ZINC
ZINC000008660410
PDB chain
4o1p Chain C Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
4o1p
Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Resolution
2.5 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 score
4
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
PDBsum
4o1p
PubMed
24462203
UniProt
A5H025
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